Example

LECTURE NOTES
ON QUANTUM MECHANICS
Dr. Shun-Qing Shen
Department of Physics
The University of Hong Kong
September 2004
CT Contents
0.1 General Information . . . . . . . . . . . . . . . . . . . . . . . . . . . . xii
1 Fundamental Concepts 1
1.1 Relation between experimental interpretations and theoretical inferences 2
1.1.1 Experimental facts . . . . . . . . . . . . . . . . . . . . . . . . . 2
1.1.2 Theoretical development . . . . . . . . . . . . . . . . . . . . . . 2
1.2 Materials from Britannica Online . . . . . . . . . . . . . . . . . . . . . 3
1.2.1 Photoelectric eect . . . . . . . . . . . . . . . . . . . . . . . . . 3
1.2.2 Frank-Hertz experiment . . . . . . . . . . . . . . . . . . . . . . 7
1.2.3 Compton eect . . . . . . . . . . . . . . . . . . . . . . . . . . . 7
1.3 The Stern-Gerlach Experiment . . . . . . . . . . . . . . . . . . . . . . . 11
1.3.1 The Stern-Gerlach experiment . . . . . . . . . . . . . . . . . . . 12
1.3.2 Sequential Stern-Gerlach Experiment . . . . . . . . . . . . . . . 14
1.3.3 Analogy with Polarization of Light . . . . . . . . . . . . . . . . 16
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CONTENTS MANUSCRIPT
1.4 Dirac Notation and Operators . . . . . . . . . . . . . . . . . . . . . . . 16
1.5 Base kets and Matrix Representation . . . . . . . . . . . . . . . . . . . 21
1.5.1 Eigenkets of an Observable . . . . . . . . . . . . . . . . . . . . . 21
1.5.2 Eigenkets as Base kets: . . . . . . . . . . . . . . . . . . . . . . . 22
1.5.3 Matrix Representation: . . . . . . . . . . . . . . . . . . . . . . . 24
1.6 Measurements, Observables & The Uncertainty Relation . . . . . . . . 26
1.6.1 Measurements . . . . . . . . . . . . . . . . . . . . . . . . . . . . 26
1.6.2 Spin1/2 system . . . . . . . . . . . . . . . . . . . . . . . . . . . 27
1.6.3 Probability Postulate . . . . . . . . . . . . . . . . . . . . . . . . 29
1.6.4 S
a
and S
j
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30
1.6.5 The Algebra of Spin Operators . . . . . . . . . . . . . . . . . . 33
1.6.6 Algebra of the Pauli matrices . . . . . . . . . . . . . . . . . . . 34
1.6.7 Observable . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 34
1.7 Change of Basis . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 37
1.7.1 Transformation Operator . . . . . . . . . . . . . . . . . . . . 38
1.7.2 Transformation Matrix . . . . . . . . . . . . . . . . . . . . . . . 39
1.7.3 Diagonalization . . . . . . . . . . . . . . . . . . . . . . . . . . 41
1.8 Position, Momentum, and Translation . . . . . . . . . . . . . . . . . . . 43
1.8.1 Continuous Spectra . . . . . . . . . . . . . . . . . . . . . . . . . 43
1.8.2 Some properties of the ofunction. . . . . . . . . . . . . . . . . 44
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CONTENTS MANUSCRIPT
1.8.3 Position Eigenkets and Position Measurements . . . . . . . . . . 45
1.8.4 Translation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 47
1.9 The Uncertainty Relation . . . . . . . . . . . . . . . . . . . . . . . . . 52
2 Quantum Dynamics 62
2.1 Time Evolution and the Schrdinger Equation . . . . . . . . . . . . . . 62
2.1.1 Time Evolution Operator . . . . . . . . . . . . . . . . . . . . . 62
2.1.2 The Schrdinger Equation. . . . . . . . . . . . . . . . . . . . . . 65
2.1.3 Time Dependence of Expectation Value: Spin Precession. . . . . 69
2.2 The Schrodinger versus the Heisenberg Picture . . . . . . . . . . . . . . 72
2.2.1 Unitary operators . . . . . . . . . . . . . . . . . . . . . . . . . . 72
2.2.2 Two Approaches . . . . . . . . . . . . . . . . . . . . . . . . . . 73
2.2.3 The Heisenberg Equation of Motion. . . . . . . . . . . . . . . . 75
2.2.4 How to construct a Hamiltonian . . . . . . . . . . . . . . . . . . 76
2.3 Simple Harmonic Oscillator. . . . . . . . . . . . . . . . . . . . . . . . . 78
2.3.1 Eigenvalue and eigenstates . . . . . . . . . . . . . . . . . . . . . 78
2.3.2 Time Development of the Oscillator . . . . . . . . . . . . . . . . 85
2.3.3 The Coherent State . . . . . . . . . . . . . . . . . . . . . . . . 87
2.4 Schrodinger Wave Equation: Simple Harmonic Oscillator . . . . . . . . 89
2.5 Propagators and Feynman Path Integrals . . . . . . . . . . . . . . . . . 91
2.5.1 Propagators in Wave Mechanics. . . . . . . . . . . . . . . . . . . 91
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CONTENTS MANUSCRIPT
2.5.2 Propagator as a Transition Amplitude . . . . . . . . . . . . . . 97
2.5.3 Path Integral as the Sum Over Paths . . . . . . . . . . . . . . . 98
2.5.4 Feynmans Formalism . . . . . . . . . . . . . . . . . . . . . . . 99
2.6 The Gauge Transformation and Phase of Wave Function . . . . . . . . 102
2.6.1 Constant Potential . . . . . . . . . . . . . . . . . . . . . . . . . 102
2.6.2 Gauge Transformation in Electromagnetism . . . . . . . . . . . 105
2.6.3 The Gauge Transformation . . . . . . . . . . . . . . . . . . . . . 108
2.6.4 The Aharonov-Bohm Eect . . . . . . . . . . . . . . . . . . . . 111
2.6.5 Magnetic Monopole . . . . . . . . . . . . . . . . . . . . . . . . . 114
2.7 Interpretation of Wave Function. . . . . . . . . . . . . . . . . . . . . . 116
2.7.1 Whats
c
(r)? . . . . . . . . . . . . . . . . . . . . . . . . . . . 116
2.7.2 The Classical Limit . . . . . . . . . . . . . . . . . . . . . . . . . 119
2.8 Examples . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121
2.8.1 One dimensional square well potential . . . . . . . . . . . . . . 121
2.8.2 A charged particle in a uniform magnetic eld . . . . . . . . . . 125
3 Theory of Angular Momentum 128
3.1 Rotation and Angular Momentum . . . . . . . . . . . . . . . . . . . . . 128
3.1.1 Finite versus innitesimal rotation . . . . . . . . . . . . . . . . 129
3.1.2 Orbital angular momentum . . . . . . . . . . . . . . . . . . . . 136
3.1.3 Rotation operator for spin 1/2 . . . . . . . . . . . . . . . . . . . 138
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CONTENTS MANUSCRIPT
3.1.4 Spin precession revisited . . . . . . . . . . . . . . . . . . . . . . 140
3.2 Rotation Group and the Euler Angles . . . . . . . . . . . . . . . . . . . 141
3.2.1 The Group Concept . . . . . . . . . . . . . . . . . . . . . . . . 141
3.2.2 Orthogonal Group . . . . . . . . . . . . . . . . . . . . . . . . . 142
3.2.3 Special? . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143
3.2.4 Unitary Unimodular Group . . . . . . . . . . . . . . . . . . . . 144
3.2.5 Euler Rotations . . . . . . . . . . . . . . . . . . . . . . . . . . . 145
3.3 Eigenvalues and Eigenkets of Angular Momentum . . . . . . . . . . . . 149
3.3.1 Representation of Rotation Operator . . . . . . . . . . . . . . . 157
3.4 Schwinger Oscillator Model. . . . . . . . . . . . . . . . . . . . . . . . . 158
3.4.1 Spin 1/2 system . . . . . . . . . . . . . . . . . . . . . . . . . . . 162
3.4.2 Two-spin1/2 system . . . . . . . . . . . . . . . . . . . . . . . . 163
3.4.3 Explicit Formula for Rotation Matrices. . . . . . . . . . . . . . . 166
3.5 Combination of Angular Momentum and Clebsh-Gordan Coecients . 168
3.5.1 Clebsch-Gordan coecients . . . . . . . . . . . . . . . . . . . . 171
3.6 Spin Correlation Measurements and Bells Inequality . . . . . . . . . . 178
3.6.1 Spin singlet state . . . . . . . . . . . . . . . . . . . . . . . . . . 180
3.6.2 Einsteins Locality Principle and Bells inequality . . . . . . . . 182
3.6.3 Quantum Mechanics and Bells Inequality . . . . . . . . . . . . 184
3.7 PROBLEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 185
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CONTENTS MANUSCRIPT
4 Symmetries in Physics 187
4.1 Symmetries and Conservation Laws . . . . . . . . . . . . . . . . . . . . 188
4.1.1 Symmetry in Classical Physics . . . . . . . . . . . . . . . . . . . 188
4.1.2 Symmetry in Quantum Mechanics . . . . . . . . . . . . . . . . . 189
4.1.3 Degeneracy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 191
4.1.4 Symmetry and symmetry breaking . . . . . . . . . . . . . . . . 191
4.1.5 Summary: symmetries in physics . . . . . . . . . . . . . . . . . 195
4.2 Discrete Symmetries . . . . . . . . . . . . . . . . . . . . . . . . . . . . 197
4.2.1 Parity . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 197
4.2.2 The Momentum Operator . . . . . . . . . . . . . . . . . . . . . 199
4.2.3 The Angular Momentum . . . . . . . . . . . . . . . . . . . . . . 200
4.2.4 Parity . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 201
4.2.5 Lattice Translation . . . . . . . . . . . . . . . . . . . . . . . . . 204
4.2.6 A more realistic example: a 1D system . . . . . . . . . . . . . . 206
4.3 Permutation Symmetry and Identical Particles . . . . . . . . . . . . . . 208
4.3.1 Identical particles . . . . . . . . . . . . . . . . . . . . . . . . . . 208
4.3.2 The helium atom . . . . . . . . . . . . . . . . . . . . . . . . . . 214
4.4 Time Reversal . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 214
4.4.1 Classical cases . . . . . . . . . . . . . . . . . . . . . . . . . . . . 215
4.4.2 Time reversal operator . . . . . . . . . . . . . . . . . . . . . . 217
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CONTENTS MANUSCRIPT
4.4.3 Time reversal for a spin 1/2 system . . . . . . . . . . . . . . . . 219
5 Approximation Methods for Bound States 223
5.1 The Variation Method . . . . . . . . . . . . . . . . . . . . . . . . . . . 224
5.1.1 Expectation value of the energy . . . . . . . . . . . . . . . . . . 224
5.1.2 Particle in a one-dimensional innite square well . . . . . . . . . 226
5.1.3 Ground State of Helium Atom . . . . . . . . . . . . . . . . . . . 227
5.2 Stationary Perturbation Theory: Nondegenerate Case . . . . . . . . . . 230
5.2.1 Statement of the Problem . . . . . . . . . . . . . . . . . . . . . 230
5.2.2 The Two-State Problem . . . . . . . . . . . . . . . . . . . . . . 231
5.2.3 Formal Development of Perturbation . . . . . . . . . . . . . . . 233
5.3 Application of the Perturbation Expansion . . . . . . . . . . . . . . . . 237
5.3.1 Simple harmonic oscillator . . . . . . . . . . . . . . . . . . . . . 237
5.3.2 Atomic hydrogen . . . . . . . . . . . . . . . . . . . . . . . . . . 240
5.3.3 Van der Waals interaction . . . . . . . . . . . . . . . . . . . . . 243
5.4 Stationary Perturbation Theory: Degenerate Case . . . . . . . . . . . . 244
5.4.1 Revisited two-state problem . . . . . . . . . . . . . . . . . . . . 245
5.4.2 The basic procedure of degenerate perturbation theory . . . . . 247
5.4.3 Example: Zeeman Eect . . . . . . . . . . . . . . . . . . . . . . 249
5.4.4 Spin-Orbit interaction . . . . . . . . . . . . . . . . . . . . . . . 251
5.4.5 Example: First Order Stark Eect in Hydrogen . . . . . . . . . 252
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CONTENTS MANUSCRIPT
5.5 The Wentzel-Kramers-Brillouin (WKB) approximation . . . . . . . . . 254
5.6 Time-dependent Problem: Interacting Picture and Two-State Problem 255
5.6.1 Time-dependent Potential and Interacting Picture . . . . . . . . 255
5.6.2 Time-dependent Two-State Problem . . . . . . . . . . . . . . . 257
5.7 Time-dependent Perturbation Problem . . . . . . . . . . . . . . . . . . 261
5.7.1 Perturbation Theory . . . . . . . . . . . . . . . . . . . . . . . . 261
5.7.2 Time-independent perturbation . . . . . . . . . . . . . . . . . . 263
5.7.3 Harmonic perturbation . . . . . . . . . . . . . . . . . . . . . . . 264
5.7.4 The Golden Rule . . . . . . . . . . . . . . . . . . . . . . . . . . 265
6 Collision Theory 268
6.1 Collisions in one- and three-dimensions . . . . . . . . . . . . . . . . . . 269
6.1.1 One-dimensional square potential barriers . . . . . . . . . . . . 269
6.1.2 Datta-Das spin eld transistor . . . . . . . . . . . . . . . . . . . 273
6.2 Collision in three dimensions . . . . . . . . . . . . . . . . . . . . . . . . 273
6.3 Scattering by Spherically Symmetric Potentials . . . . . . . . . . . . . 278
6.4 Applications . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 284
6.4.1 Scattering by a square well . . . . . . . . . . . . . . . . . . . . . 284
6.4.2 Scattering by a hard-sphere potential . . . . . . . . . . . . . . . 286
6.4.3 Identical Particles and Scattering . . . . . . . . . . . . . . . . . 288
6.5 Applications to interactions with the classical eld . . . . . . . . . . . . 289
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CONTENTS MANUSCRIPT
6.5.1 Absorption and stimulation emission . . . . . . . . . . . . . . . 289
6.5.2 Electric dipole approximation . . . . . . . . . . . . . . . . . . . 291
6.5.3 Photoelectric eect . . . . . . . . . . . . . . . . . . . . . . . . . 292
6.6 Approximate Collision Theory . . . . . . . . . . . . . . . . . . . . . . . 294
6.6.1 The Lippman-Schwinger Equation . . . . . . . . . . . . . . . . . 294
6.6.2 The Born Approximation . . . . . . . . . . . . . . . . . . . . . . 299
6.6.3 The higher-order Born approximation . . . . . . . . . . . . . . . 300
6.6.4 Optical Theorem . . . . . . . . . . . . . . . . . . . . . . . . . . 301
6.6.5 Application: from Yukawa potential to Coloumb potential . . . 302
6.6.6 One-Dimensional Green Function . . . . . . . . . . . . . . . . . 304
7 Selected Topics 305
7.1 Relativistic Quantum Mechanics . . . . . . . . . . . . . . . . . . . . . . 305
7.1.1 The Schrodinger Equation . . . . . . . . . . . . . . . . . . . . . 305
7.1.2 Dirac Equation . . . . . . . . . . . . . . . . . . . . . . . . . . . 307
7.1.3 Spin of Dirac particles . . . . . . . . . . . . . . . . . . . . . . . 311
7.1.4 The Zeeman coupling . . . . . . . . . . . . . . . . . . . . . . . . 312
7.1.5 Exact solution in Coloumb potential: Hydrogen atom . . . . . . 313
7.1.6 Spin-orbit coupling . . . . . . . . . . . . . . . . . . . . . . . . . 313
7.1.7 Spin-orbital coupling and spintronics . . . . . . . . . . . . . . . 315
7.1.8 Spin transverse force . . . . . . . . . . . . . . . . . . . . . . . . 315
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CONTENTS MANUSCRIPT
7.1.9 Spin-orbit coupling and Datta-Das eld-eect transistor . . . . . 316
7.1.10 Graphene: 2D massless Dirac quasi-particles . . . . . . . . . . . 316
7.1.11 Topological Insulator and Dirac particels . . . . . . . . . . . . . 326
7.2 Quantum Statistics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 327
7.2.1 Density Operator and Ensembles . . . . . . . . . . . . . . . . . 328
7.2.2 Quantum Statistical Mechanism . . . . . . . . . . . . . . . . . . 330
7.2.3 Quantum Statistics . . . . . . . . . . . . . . . . . . . . . . . . . 334
7.2.4 Systems of non-interaction particles . . . . . . . . . . . . . . . . 335
7.2.5 Bose-Einstein Condensation . . . . . . . . . . . . . . . . . . . . 339
7.2.6 Free fermion gas . . . . . . . . . . . . . . . . . . . . . . . . . . 341
7.3 Quantum Hall Eect . . . . . . . . . . . . . . . . . . . . . . . . . . . . 343
7.3.1 Hall Eect . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 344
7.3.2 Quantum Hall Eect . . . . . . . . . . . . . . . . . . . . . . . . 346
7.3.3 Laughlins Theory . . . . . . . . . . . . . . . . . . . . . . . . . 348
7.3.4 Charged particle in the presence of a magnetic eld . . . . . . . 350
7.3.5 Landau Level and Quantum Hall Eect . . . . . . . . . . . . . . 354
7.4 Quantum Magnetism . . . . . . . . . . . . . . . . . . . . . . . . . . . . 355
7.4.1 Spin Exchange . . . . . . . . . . . . . . . . . . . . . . . . . . . 357
7.4.2 Two-Site Problem . . . . . . . . . . . . . . . . . . . . . . . . . . 359
7.4.3 Ferromagnetic Exchange (J < 0) . . . . . . . . . . . . . . . . . 362
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CONTENTS MANUSCRIPT
7.4.4 Antiferromagnetic Exchange . . . . . . . . . . . . . . . . . . . . 364
A 0.1 General Information
New Course Code: PHYS6504
Aim/Following-up: The course provides an introduction to advanced tech-
niques in quantum mechanics and their application to several selected topics in
condensed matter physics.
Contents: Dirac notation and formalism, time evolution of quantum systems,
angular momentum theory, creation and annihilation operators (the second quan-
tization representation), symmetries and conservation laws, permutation symme-
try and identical particles, quantum statistics, non-degenerate and degenerate
perturbation theory, time-dependent perturbation theory, the variational method
Prerequisites: PHYS2323 and PHYS3332 or equivalent
Co-requisite: Nil
Teaching: 36 hours of lectures and tutorial classes
Duration: One semester (1st semester)
Assessment: One three-hour examination (70%) and course assessment (30%)
xii
CONTENTS MANUSCRIPT
Textbook: J. J. Sakurai, Modern Quantum Mechanics (Addison-Wesley, 1994)
Web page: http://bohr.physics.hku.hk/~phys6504/ All lectures notes in pdf
les can be download from the site.
References: L. Schi, QuantumMechanics (McGraw-Hill, 1968, 3nd ed.); Richard
Feynman, Robert B. Leighton, and Matthew L. Sands, Feynman Lectures on
Physics Vol. III, (Addison-Wesley Publishing Co., 1965); L. D. Landau and E.
M. Lifshitz, Quantum Mechanics
Time and Venue:
14:00 -15:55: Tuesday/CYP-105
14:00 -14:55: Thursday/MW-714
xiii
CONTENTS MANUSCRIPT
Numerical values of some physical quantities
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CONTENTS MANUSCRIPT
~ = 1.054 10
27
erg-sec (Plancks constant divided by 2:
c = 4.80 10
10
esu (magnitude of electron charge)
: = 0.911 10
27
g (electron mass)
` = 1.672 10
24
g (proton mass)
c
0
= ~
2
,:c
2
= 5.29 10
9
cm (Bohr radius)
c
2
,c
0
= 27.2eV (twice binding energy of hydrogen)
c = 3.00 10
10
cm/sec (speed of light)
~c,c
2
= 137 (reciprocal ne structure constant)
c~,2:c = 0.927 10
20
erg/oersted (Bohr magneton)
:c
2
= 0.511MeV (electron rest energy)
`c
2
= 938MeV (proton rest energy)
1eV = 1.602 10
12
erg
1 eV/c = 12. 400
1eV = 11. 600K
xv
CONTENTS MANUSCRIPT
xvi
CN Chapter 1
CT Fundamental Concepts
At the present stage of human knowledge, quantum mechanics can be regarded as the
fundamental theory of atomic phenomena. The experimental data on which it is based
are derived from physical events that almost entirely beyond the range of direct human
perception. It is not surprising that the theory embodies physical concepts that are
foreign to common daily experience.
The most traditional way to introduce the quantum mechanics is to follow the
historical development of theory and experiment Plancks radiation law, the Einstein-
Debyes theory of specic heat, the Bohr atom, de Broglies matter wave and so forth
together with careful analysis of some experiments such as diraction experiment
of light, the Compton eect, and Franck-Hertz eect. In this way we can enjoy the
experience of physicists of last century to establish the theory. In this course we do not
1
CHAPTER 1 MANUSCRIPT
follow the historical approach. Instead, we start with an example that illustrates the
inadequacy of classical concepts in a fundamental way.
A 1.1 Relation between experimental interpretations
and theoretical inferences
Schis book has a good introduction to this theory. Here we just list several experi-
ments which played key roles in development of quantum theory.
B 1.1.1 Experimental facts
Electromagnetic wave/light: Diraction (Young, 1803; Laue, 1912))
Electromagnetic quanta /light: Black body radiation (Planck, 1900); Photoelec-
tric eect (Einstein, 1904); Compton eect (1923); Combination Principle (Rita-
Rydberg, 1908)
Discrete values for physical quantities: Specic heat (Einstein 1907, Debye 1912);
Franck-Hertz experiment (1913); Stern-Gerlach experiment (1922)
B 1.1.2 Theoretical development
Maxwells theory for electromagnetism: Electromagnetic wave (1864)
2
Plancks theory for black body radiation: 1 = ~.: Electromagnetic quanta (1900)
de Broglies theory: 1 = /,`: Wave-Particle Duality, (1924)
Bohrs atom model, (1913)
Birth of quantum mechanics: Heisenbergs theory (1926); Schrodingers theory
(1926)
A 1.2 Materials from Britannica Online
B 1.2.1 Photoelectric eect
The phenomenon in which charge particles are released from a material when it absorbs
radiant energy. The photoelectric eect commonly is thought of as the ejection of
electrons from the surface of a metal plate when light falls on it. In the broad sense,
however, the phenomenon can take place when the radiant energy is in the region of
visible or ultraviolet light, X rays, or gamma rays; when the material is a solid, liquid, or
gas; and when the particles released are electrons or ions (charged atoms or molecules).
The photoelectric eect was discovered in 1887 by a German physicist, Hein-
rich Rudolf Hertz, who observed that ultraviolet light changes the lowest voltage at
which sparking takes place between given metallic electrodes. At the close of the 19th
century, it was established that a cathode ray (produced by an electric discharge in a
3
Figure 1.1:
rareed-gas atmosphere) consists of discrete particles, called electrons, each bearing an
elementary negative charge. In 1900 Philipp Lenard, a German physicist, studying the
electrical charges liberated from a metal surface when it was illuminated, concluded
that these charges were identical to the electrons observed in cathode rays. It was fur-
ther discovered that the current (given the name photoelectric because it was caused
by light rays), made up of electrons released from the metal, is proportional to the
intensity of the light causing it for any xed wavelength of light that is used. In 1902 it
was proved that the maximum kinetic energy of an electron in the photoelectric eect
is independent of the intensity of the light ray and depends on its frequency.
The observations that (1) the number of electrons released in the photoelec-
tric eect is proportional to the intensity of the light and that (2) the frequency, or
4
wavelength, of light determines the maximum kinetic energy of the electrons indicated
a kind of interaction between light and matter that could not be explained in terms of
classical physics. The search for an explanation led in 1905 to Albert Einsteins funda-
mental theory that light, long thought to be wavelike, can be regarded alternatively as
composed of discrete particles (now called photons ), equivalent to energy quanta.
In explaining the photoelectric eect, Einstein assumed that a photon could
penetrate matter, where it would collide with an atom. Since all atoms have electrons,
an electron would be ejected from the atom by the energy of the photon, with great
velocity. The kinetic energy of the electron, as it moved through the atoms of the
matter, would be diminished at each encounter. Should it reach the surface of the
material, the kinetic energy of the electron would be further reduced as the electron
overcame and escaped the attraction of the surface atoms. This loss in kinetic energy is
called the work function, symbolized by omega (.). According to Einstein, each light
quantum consists of an amount of energy equal to the product of Plancks universal
constant (/) and the frequency of the light (indicated by the Greek i). Einsteins theory
of the photoelectric eect postulates that the maximum kinetic energy of the electrons
ejected from a material is equal to the frequency of the incident light times Plancks
constant, less the work function. The resulting photoelectric equation of Einstein can
be expressed by 1
I
= /i ., in which 1
I
is the maximum kinetic energy of the ejected
electron, / is a constant, later shown to be numerically the same as Plancks constant,
5
i is the frequency of the incident light, and . is the work function.
The kinetic energy of an emitted electron can be measured by placing it in an
electric eld and measuring the potential or voltage dierence (indicated as V) required
to reduce its velocity to zero. This energy is equal to the product of the potential
dierence and an electrons charge, which is always a constant and is indicated by c;
thus, 1
I
= c\ .
The validity of the Einstein relationship was examined by many investigators
and found to be correct but not complete. In particular, it failed to account for the fact
that the emitted electrons energy is inuenced by the temperature of the solid. The
remedy to this defect was rst formulated in 1931 by a British mathematician, Ralph
Howard Fowler, who, on the assumption that all electrons with energies greater than
the work function would escape, established a relationship between the photoelectric
current and the temperature: the current is proportional to the product of the square
of the temperature and a function of the incident photons energy. The equation is
1 = c1
2
c(r), in which 1 is the photoelectric current, c and are constants, and c(r)
is an exponential series, whose numerical values have been tabulated; the dimensionless
value r equals the kinetic energy of the emitted electrons divided by the product of the
temperature and the Boltzmann constant of the kinetic theory: r = (/i .),/1; in
which r is the argument of the exponential series.
6
B 1.2.2 Frank-Hertz experiment
in physics, rst experimental verication of the existence of discrete energy states in
atoms, performed (1914) by the German-born physicists James Franck and Gustav
Hertz .
Franck and Hertz directed low-energy electrons through a gas enclosed in an
electron tube. As the energy of the electrons was slowly increased, a certain critical
electron energy was reached at which the electron stream made a change from almost
undisturbed passage through the gas to nearly complete stoppage. The gas atoms were
able to absorb the energy of the electrons only when it reached a certain critical value,
indicating that within the gas atoms themselves the atomic electrons make an abrupt
transition to a discrete higher energy level. As long as the bombarding electrons have
less than this discrete amount of energy, no transition is possible and no energy is
absorbed from the stream of electrons. When they have this precise energy, they lose it
all at once in collisions to atomic electrons, which store the energy by being promoted
to a higher energy level.
B 1.2.3 Compton eect
increase in wavelength of X rays and other energetic electromagnetic radiations that
have been elastically scattered by electrons; it is a principal way in which radiant energy
is absorbed in matter. The eect has proved to be one of the cornerstones of quantum
7
Figure 1.2:
8
mechanics, which accounts for both wave and particle properties of radiation as well as
of matter.
The American physicist Arthur Holly Compton explained (1922; published
1923) the wavelength increase by considering X rays as composed of discrete pulses,
or quanta, of electromagnetic energy, which he called photons. Photons have energy
and momentum just as material particles do; they also have wave characteristics, such
as wavelength and frequency. The energy of photons is directly proportional to their
frequency and inversely proportional to their wavelength, so lower-energy photons have
lower frequencies and longer wavelengths. In the Compton eect, individual photons
collide with single electrons that are free or quite loosely bound in the atoms of matter.
Colliding photons transfer some of their energy and momentum to the electrons, which
in turn recoil. In the instant of the collision, new photons of less energy and momentum
are produced that scatter at angles the size of which depends on the amount of energy
lost to the recoiling electrons.
Because of the relation between energy and wavelength, the scattered photons
have a longer wavelength that also depends on the size of the angle through which the X
rays were diverted. The increase in wavelength or Compton shift does not depend on the
wavelength of the incident photon. The Compton eect was discovered independently
by the physical chemist Peter Debye in early 1923.
` =
I
nc
(1 cos o)
9
Figure 1.3:
10
Figure 1.4: The Stern-Gerlach Experiment
`
0
=
I
nc
= 2.42631058 10
12
m = 0.024
A 1.3 The Stern-Gerlach Experiment

We start with the Stern-Gerlach experiment to introduce some basic concepts of quan-
tum mechanics. The two-state problem can be regarded as the most quantum. A lot of
important discoveries are related to it. It is worthy studying very carefully. We shall
repeat to discuss the problem throughout this course.
11
B 1.3.1 The Stern-Gerlach experiment
Oven: silver atoms (Ag) are heated in the oven. The oven has a small hole through
which some of the silver atoms escape to form an atomic beam.
Ag: (Electron conguration: 1s
2
2s
2
2p
6
3s
2
3p
6
3d
10
4s
2
4p
6
4d
10
5s
1
). The outer
shell has only ONE electron (5s
1
) . The atom has an angular momentum., which is due
solely to the spin of 47
tI
electron.
Collimating slit: change the diverging Ag beam to a parallel beam.
Shaped Magnet: N and S are north and south poles of a magnet. The knife-
edge of S results in a much stronger magnetic eld at the point P than Q . i.e. the
magnet generates an inhomogeneous magnetic eld.
Role of the inhomogeneous eld: to change the direction of the Ag beam. The
interaction energy is 1 = j B. The force experienced by the atoms is
:c =
J
J.
(j B) j
:
J1
:
J.
If the magnetic eld is uniform , i.e.
01
:
0:
= 0., the Ag beam will not change its direction.
In the eld dierent magnetic moments experience dierent forces, and the atoms with
dierent magnetic moments will change dierent angles after the beams pass through
the shaped magnet. Suppose the length of the shaped magnet 1. It takes a time 1,
12
Figure 1.5: Beam from the Stern-Gerlach apparatus: (a) is expected from classical
physics, while (b) is actually observed experimentally.
for particles to go though the magnets. The angle is about
ct
=
j
:
n
01
:
0:
1
=
j
:
01
:
0:
1
:
2
= j
:
J1
:
J.
1,21
I
j
:
.
They will reach at dierent places on the screen.
Classically: all values of j
:
= jcos o (0 < o < :) would be expected to realize
between |j| and |j| . It has a continuous distribution.
Experimentally: only two values of z component of

o are observed (electron
spin j

o)
Consequence: the spin of electron has two discrete values along the magnetic
13
eld
o =
~,2
~,2
~ = 1.0546 10
27
erg.s = 6.5822 10
16
eV.s
Plancks constant divided by 2:
It should be noted that the constant cannot be determined accurately from this exper-
iment.
B 1.3.2 Sequential Stern-Gerlach Experiment
SGz stands for an apparatus with inhomogeneous magnetic eld in z direction, and
SGx in x direction
Case(a): no surprising!
Case(b): o
:
+ beam is made up of 50% o
a
+ and 50% o
a
? o
:
beam?
(o
:
+)
1
2
(o
a
+) +
1
2
(o
a
)?
(o
:
)
1
2
(o
a
+) +
1
2
(o
a
)?
Case(c): Since o
:
is blocked at the rst step, why is o
a
+ beam made up of
both o
:
+ and o
:
beams?
(o
a
+)
1
2
(o
:
+) +
1
2
(o
:
)?
(o
a
)
1
2
(o
:
+) +
1
2
(o
:
)?
14
Figure 1.6: Sequential Stern-Gerlach experiment
15
Consequences of S-G experiment:
Spin space cannot be described by a 3-dimensional vector.
The magnetic moment of atom or spin is discrete or quantized.
We cannot determine both o
:
and o
a
simultaneously. More precisely, we can
say that the selection of o
a
+ beam by SG x completely destroys any previous
information about o
:
.
B 1.3.3 Analogy with Polarization of Light
It is very helpful if you compare the situation with the analogy of the polarized light
through a Polaroid lter. The polarized light wave is described by a complex function,
E = 1
0
xcos(/. .t).
E =
1
0
2
12
h
xe
i(I:.t)
iye
i(I:.t)
i
Please refer to Sakurais book, P.610.
A 1.4 Dirac Notation and Operators
The Stern-Gerlach experiment shows that the spin space is not simply a 3-D vector
space and lead to consider a complex vector space. There exists a good analogy with
polarization of light. (Refer to Sakurais book). In this section we formulate the basic
16
Figure 1.7:
17
mathematics of vector spaces as used in quantum mechanics. The theory of linear
algebra has been known to mathematician before the birth of quantum mechanics, but
the Dirac notation has many advantages. At the early time of quantum mechanics
this notation was used to unify Heisenbergs matrix mechanics and Schrodingers wave
mechanics. The notation in this course was rst introduced by P. A. M. Dirac.
Ket space: In quantum mechanics, a physical state, for example, a silver
atom with denite spin orientation, is represented by a state vector in a complex vector
space, denoted by |ci, a ket. The state ket is postulated to contain complete informa-
tion about physical state. The dimensionality of a complex vector space is specied
according to the nature of physical system under consideration.
An observable can be represented by an operator A
A(|ci) = A|ci
Eigenket and eigenvalue:
A(|ci) = c |ci
Eigenstate: the physical state corresponding to an eigenket, |ci.
Two kets can be added to form a new ket: |ci +|,i = |i
One of the postulates is that |ci and c |ci with the number c 6= 0 represent
the same physical state.
18
Bra space: a dual correspondence to a ket space. We postulate that corre-
sponding to every ket there exist a bra. The names come from the word bracket
bra-c-ket.
1. There exists a one-to one correspondence between a ket space and a bra space.
|ci hc|
2. The bra dual to c |ci (c is a complex number)
c |ci c
hc|
Inner product: In general, this product is a complex number.
h,|ci = (h,|) (|ci)
Two properties of the inner product:
1. h,|ci and hc|,i are complex conjugates of each other.
h,|ci = (hc|,i)
2. the postulate of positive denite metric.

hc|ci 0
19
where the equality sign holds only if |ci is a null ket. From a physicists point
of view this postulate is essential for the probabilistic interpretation of quantum
mechanics. Question: what happens if we postulate hc|ci 0?
Orthogonality:
hc|,i = 0.
Normalization: all vectors can be normalized!
| ci =

1
hc|ci
1
2
|ci , h c| ci = 1
The norm of |ci : (hc|ci)
12
Operator: an operator acts on a ket from the left side, x|ci . and the result-
ing product is another ket. An operator acts on a bra from the right side, hc| x.and
the resulting product is another bra.
Equality: x = y if x|ci = y |ci for an arbitrary ket
Null operator: x|ci = 0 for arbitrary |ci
Hermitian operator: x = x
x|ci hc| x
Multiplication
Noncommutative: xy 6= yx
20
Associative: x(yz) = (xy)z = xyz
Hermitian adjoint: (xy)
= y
(Prove it!)
y |ci hc| y
xy |ci = x(y|ci)
hc| y
= hc| y
Outer product: |ci h,| is an operator!

The associative axiom of multiplication: the associative property holds as long
as we are dealing with legal multiplications among kets, bras, and operators.
1. (|ci h,|) |i = |ci (h,| |i) ;
2. (h,|) (x|ci) = (h,| x) (|ci) h, |x| ci ;
3. h, |x| ci = h,| (x|ci) = {(hc| x
) |,i}
.
A 1.5 Base kets and Matrix Representation
B 1.5.1 Eigenkets of an Observable
The operators for observables must be Hermitian as physical quantities must be real.
1). The eigenvalues of a Hermitian operator A are real.
21
G Proof. First, we recall the denitions
A|ci = c |ci hc| A
= hc| c
hc| A|ci = c hc| A
|ci = c
If A = A
=c = c
.
2). The eigenkets of Hermitian A corresponding to dierent eigenvalues are
orthogonal.
G Proof.
A|ci = c |ci =hc
0
|A| ci = c hc
0
|ci
hc
0
| A
= hc
0
| c
0
=hc
0
|A| ci = c
0
hc
0
|ci
We have
(c c
0
) hc
0
|ci = 0 =hc
0
|ci = 0
It is conventional to normalize all eigenkets |c
0
i of A so that {|c
0
i} form an orthogonal
set: hc|c
0
i = o
o
0
,o
00 =
1. if c
0
= c
00
0. otherwise
.
B 1.5.2 Eigenkets as Base kets:
1. All normalized eigenkets of an observable A form a complete and orthonormal
set. {
c
(a)
}. The number of the eigenkets is equal to the dimensionality of the

22
complex vector space.
2. An arbitrary ket in the ket space can be expanded in terms of the eigenkets of A:
|ci =
P
a
C
a
c
(a)
c
(a)
|c
= C
a
|ci =
P
a
c
(a)

c
(a)
|c
=

P
a
c
(a)

c
(a)
|ci
3. The completeness relation (or closure):
P
a
c
(a)

c
(a)
= 1
(1 means the identity operator. For an arbitary ket |ci . 1 |ci = |ci)
(
P
a
c
(a)

c
(a)
)(
P
n
c
(n)

c
(n)
)
=
P
n.a
c
(a)

c
(a)

c
(n)

c
(n)
=
P
n.a
c
(a)
o
na
c
(n)
=
P
a
c
(a)

c
(a)
=(
P
a
c
(a)

c
(a)
)(
P
n
c
(n)

c
(n)
1) = 0
This relation is very essential to develop the general formalism of quantum me-
chanics.
4. Projection operator: 1
a
=

c
(a)

c
(a)
1
a
|ci =

c
(a)

c
(a)
ci = C
a
c
(a)
23
1
a
selects that portion of the ket |ci parallel to

c
(a)
: 1
a
1
a
= 1
a
such that
1
a
s eigenvalues are either 1 or 0.
1
a
1
a
= (
c
(a)

c
(a)
)(
c
(a)

c
(a)
)
=

c
(a)

c
(a)
|c
(a)

c
(a)
c
(a)

c
(a)
= 1
a
B 1.5.3 Matrix Representation:
Having specied the base kets, we show how to represent an operator, say X, by a
square matrix.
X = (
P
a
c
(a)

c
(a)
)X(
P
n
c
(n)

c
(n)
)
=
P
n.a
c
(a)

c
(a)
c
(n)

c
(n)
=
P
n.a
(
c
(a)
c
(n)
c
(a)

c
(n)
=
P
n.a
A
an
c
(a)

c
(n)
Let us assume that
c
(a)
= (0. . 0. 1. )
24
and
c
(a)
0
.
.
.
0
1
.
.
.
Thus the outer product of
c
(n)
and

c
(a)
gives a new operator in the form of square

matrix,
c
(a)

c
(n)
0 0
.
.
.
.
.
.
.
.
.
.
.
.
0 1
.
.
.
.
.
.
.
.
.
.
.
.
.
The inner product
c
(a)
c
(a)
= 1. Thus X can be expressed in a matrix form,

X =
c
(1)
c
(1)

c
(1)
c
(2)
c
(2)
c
(1)

c
(2)
c
(2)

.
.
.
.
.
.
.
.
.
.
For an operator A which eigenstates are

c
(a)
A =
c
(1)
0
0 c
(2)

.
.
.
.
.
.
.
.
.
Basic Matrix Operations:

25
1. Transpose: C = A
T
=c
i)
= c
)i
2. Addition: C = A+B =c
i)
= c
i)
+/
i)
3. Scalar-matrix multiplication: C = cA =c
i)
= cc
i)
4. Matrix-matrix multiplication: C = AB =c
i)
=
v
P
I=1
c
iI
/
Ii
A 1.6 Measurements, Observables & The Uncertainty
Relation
B 1.6.1 Measurements
Measurement has special meaning in quantum mechanics. It is a physical operation
procedure, and is quite dierent from that in classical physics. In the classic case the
measurement reects the state of an object, such as position, velocity, and energy.
The process of measurement does not change the state of the object. For instance we
measure your body height, which does not change your body height. In the quantum
case the process of measurement changes the state of the object. If we want to measure
the spin state of electron we have to let electron go through the Stern-Gerlach apparatus
(of course we have other methods.). The magnetic eld changes the spin state, and
select one of the eigenstates along the direction of the magnetic eld. This is not a
particularly easy subject for a beginner. Let us rst read the words of the great master,
26
P. A. M. Dirac, for guidance.
A measurement always causes the system to jump into an eigenstate of the
dynamic variable that is being measured .
P.A.M. Dirac
Interpretation word by word:
1. Before the measurement of observable A is made, the system is assumed to be
represented by some linear combination of the eigenstates
|ci = (
P
a
c
(a)

c
(a)
ci =
P
a
c
a
c
(a)
.
2. When the measurement is performed, the system is thrown into one of the
eigenstates, say

c
(1)
. of the observable
|ci A measurement
c
(1)
.
3. A measurement usually changes the state. When the measurement causes |ci to
change into

c
(1)
it is said that A is measured to be c

(1)
!
Before the measurement the system is in |ci ; after a measurement the system
is in

c
(1)
.
B 1.6.2 Spin1/2 system
We are ready to derive the spin 1/2 operator we encountered in the Stern-Gerlach
experiment. The eigenvalues of S
:
are ~,2. We denote the corresponding eigenkets
27
as |+i and |i, respectively,
h+|+i h|i 1; h+|i = 0.
|+i and |i form a complete (?) and orthonormal (?) set of basis. From the complete-
ness relation: 1 = (|+i h+|) + (|i h|), we have
S
:
|+i = +
~
2
|+i
S
:
|i =
~
2
|i
S
:
|+i h+| = +
~
2
|+i h+|
S
:
|i h| =
~
2
|i h|
S
:
(|+i h+| +|i h|) =
~
2
(|+i h+| |i h|)
S
:
=
~
2
(|+i h+| |i h|)
In general any operator for an observable can be expressed in terms of its eigenvalues
and eigenstates,
A|c
a
i = c
a
|c
a
i
A =
X
a
c
a
|c
a
i hc
a
| .
Let us construct two operators:
S
+
= ~|+i h|
S
= ~|i h+|
28
From the denition, we get
S
+
|+i = ~|+i h|+i = 0
S
+
|i = ~|+i h|i = ~|+i
|+i = ~|i h+|+i = ~|i

S
|i = ~|i h+|i = 0
Let
|+i
1
0
; |i
0
1
On the base, we have

S
:
=
~
2
1 0
0 1
; S
+
= ~
0 1
0 0
; S
= ~
0 0
1 0
B 1.6.3 Probability Postulate

The probability for jumping into some particular

c
(a)
is given by
the probability for

c
(a)
: j
a
=

c
(a)
|c
2
provided that |ci is normalized (hc|ci = 1). (|ci =
P
c
(a)

c
(a)
|c
).
hc|ci =
X
a
hc

c
(a)

c
(a)
|c
= 1 =
X
a
j
a
29
The expectation value of A with respect to state |ci is dened as
hAi hc|A| ci =
P
a.n
c|c
(a)

c
(a)
|A| c
(n)

c
(n)
|c
=
P
a
c
(a)
c|c
(a)
2
=
P
a
c
(a)
j
a
c
(a)
|A| c
(n)
= c
a
o
an
where j
a
is the probability in the state

c
(a)
.
Selective measurement (or ltration)
We imagine a measurement process with a device that selects only one of
the eigenket and rejects all others. Mathematically, we can say that such a selective
measurement amounts to applying the projection operator.
B 1.6.4 S
and S
We are now in the position to determine the eigenkets of S

a
and S
j
and the operators
from the results of sequential Stern-Gerlach experiments.(see Fig.1.3)
Case (b): The eigenstates of S
a
and S
j
can be expressed in terms of the
eigenstates of S
:
. Similar to S
:
, assume the two eigenstates of S
a
are |o
a
+i and |o
a
i
with eigenvalues +
~
2
and
~
2
. respectively,
S
a
=
~
2
(|o
a
+i ho
a
+| |o
a
i ho
a
|)
The beam of S
a
+ goes through SGz and splits into two beams with the same intensity,
30
|o
a
+i = c |o
:
+i +/ |o
:
i .
From experiment = |h+|o
a
+i|
2
= |h+|o
a
i|
2
= 1,2
From experiment = |h|o
a
+i|
2
= |h|o
a
i|
2
= 1,2
=
|o
a
+i =
1
2
12
|+i +
1
2
12
c
ic
1
|i
|o
a
i =
1
2
12
|+i +
1
2
12
c
ic
0
1
|i
ho
a
+|o
a
i = 0
1
2
h+|+i +
1
2
h|i c
ic
1
+ic
0
1
= 0 o
0
1
= : +o
1
S
a
=
~
2
(|o
a
+i ho
a
+| |o
a
i ho
a
|)
=
~
2
(c
ic
1
|+i h| +c
ic
1
|i h+|)
Likewise,
S
j
=
~
2
(c
ic
2
|+i h| +c
ic
2
|i h+|)
How to determine o
1
and o
2
?
From experiment |ho
j
|o
a
+i|
2
= |ho
j
|o
a
i|
2
= 1,2
= o
1
o
2
= :,2
We just can determine the dierence of o
1
and o
2.
For convenience we take S
a
to be
real such that,
o
1
= 0 and o
2
= :,2.
31
Therefore,
|o
a
i =
1
2
12
(|+i |i);
|o
j
i =
1
2
12
(|+i i |i)
and
S
a
=
~
2
(|+i h| +|i h+|)
S
j
=
~
2
(i |+i h| +i |i h+|)
In the form of matrix.
S
a
=
~
2
0 1
1 0
; S
j
=
~
2
0 i
i 0
; S
:
=
~
2
1 0
0 1
The relations between S

a
. S
j
and S
:
S
+
= S
a
+iS
j
S
= S
a
iS
j
Dene
S
c

~
2
o
c
where the dimensionless o
c
are called the Pauli matrices:
a
=
0 1
1 0
;
j
=
0 i
i 0
;
:
=
1 0
0 1
.
The eigenvalues of these three matrixes are 1. (Please check it after class!)
32
B 1.6.5 The Algebra of Spin Operators
1. The commutation relations
[S
a
. S
j
] = [S
j
. S
a
] = i~S
:
;
[S
i
. S
)
] = ic
i)I
~S
I
c
aj:
= c
j:a
= c
:ja
= 1
c
:ja
= c
ja:
= c
a:j
= 1
c
i)I
is an antisymmetric tensor.
Eample:
[S
a
. S
j
] = S
a
S
j
S
j
S
a
=
~
2
(|+i h| +|i h+|)
~
2
(i |+i h| +i |i h+|)
~
2
(i |+i h| +i |i h+|)
~
2
(|+i h| +|i h+|)
=
~
2
4
(i |+i h+| i |i h|)
~
2
4
(i |+i h+| +i |i h|)
= i~S
:
;
2. The anticommutation relations:
{S
i
. S
)
} =
1
2
~
2
o
i)
33
3. The increasing and decreasing operators: S
= S
a
iS
j
[S
:
. S
] = [S
:
. S
a
] [S
:
. S
j
] = iS
j
i(iS
a
)
= S
a
+iS
j
S
[S
. S
+
] = 2S
:
4. The square operator of S
S
2
S
2
a
+S
2
j
+S
2
:
=
3
4
~
2
1 0
0 1
=
3
4
~
2
3
4
=
1
2

1 +
1
2
Note: The spin 1/2 operator is neither fermion nor boson.

B 1.6.6 Algebra of the Pauli matrices
o
c
o
o
= o
co
+ic
co
o
B 1.6.7 Observable
Compatible Observables: Observables A and B are dened to be compatible when
the corresponding operators commute,
[A. B] = 0
34
and incompatible when
[A. B] 6= 0
Degeneracy: Suppose there are two or more linear independent eigenkets of
A having the same eigenvalues then the eigenvalues of the two eigenkets are said to be
degenerate.
If a ket |ci is an eigenket for both A and B, i.e.
A|ci = c |ci B|ci = / |ci
the ket |ci is a simultaneous eigenket of A and B. We can denote it by |ci = |c. /i .e.g.
[S
2
. S
:
] = 0
S
2
|i =
3
4
~
2
|i ; S
:
|i =
~
2
|i
S
2
(c|+i +, |i) =
3
4
~
2
(c|+i +, |i)
S
:
(c|+i +, |i) =
~
2
(c|+i , |i)
Theorem 1 Suppose that A and B are compatible observable, and eigenvalues of A
are nondegenerate. Then the matrix elements hc |B| c
0
i are all diagonal. (A|ci = c |ci
)
G Proof. Suppose A is diagonal on the basis ket {
c
(a)
}
A
c
(a
= c
(a)
c
(a)
35
and all c
(a)
6= c
(n)
if c 6= : A and B are compatible, [A. B] = 0
c
(a)
|[A. B]| c
(n)
=

c
(a)
|[ABBA]| c
(n)
= (c
(a)
c
(n)
)
c
(a)
|B| c
(n)
= 0
=

c
(a)
|B| c
(n)
= 0 if : 6= :
If A and B are compatible, we can always diagonalize them on one set of basis
ket simultaneously no matter whether A has degenerate eigenvalues!
Measurement of A and B when [A. B] = 0
1. Nondegenerate
|ci |c. /i
2. Degenerate
|ci
P
i
c
(i)
o
c
0
. /
(i)
c
0
. /
(i)
Whether or not there is degeneracy, A measurements and B measurements do

not interfere. We can measure A and B accurately at the same time!
Incompatible Observables
36
Incompatible observables do not have a complete set of simultaneous eigenket.
Two imcompatible observables mean [A. B] 6= 0.
G Proof. Proof: Assume A and B are incompatible and {|c
0
. /
0
i} is a complete set of
simultaneous eigenkets. Then
AB|c
0
. /
0
i = A/
0
|c
0
. /
0
i = c
0
/
0
|c
0
. /
0
i
BA|c
0
. /
0
i = Bc
0
|c
0
. /
0
i = c
0
/
0
|c
0
. /
0
i
(ABBA) |c
0
. /
0
i = [A. B] |c
0
/
0
i = 0 for all {c
0
/
0
}
= [A. B] = 0
This is in contradiction to the incompatible assumption!
Accidently, there may exist an simultaneous eigenket for incompatible A and
B. For instance consider a state with the angular momentum | = 0. Although the
angular momentum opertors L
a
and L
j
do not commute, the state is a simultaneous
eigenstate of these two operators.
A 1.7 Change of Basis
EXP Example 1
Spin 1/2 system:
37
Basis I:{|o
:
+i . |o
:
i}
S
:
=
~
2
(|o
:
+i ho
:
+| |o
:
i ho
:
|)
S
a
=
~
2
(|o
:
+i ho
:
| |o
:
i ho
:
+|)
S
j
=
~
2
(i |o
:
+i ho
:
| +i |o
:
i ho
:
+|)
Basis II: {|o
a
+i . |o
a
i}
S
a
=
~
2
(|o
a
+i ho
a
+| |o
a
i ho
a
|)
S
j
=
~
2
(|o
a
+i ho
a
| |o
a
i ho
a
+|)
S
:
=
~
2
(i |o
a
+i ho
a
| +i |o
a
i ho
a
+|)
Connection of two basis
|o
a
i =
1
2
|o
:
+i
1
2
|o
:
i
|o
a
+i
|o
a
i
2
1
2
1
2

1
|o
:
+i
|o
:
i
B 1.7.1 Transformation Operator

Suppose we have two incompatible observables A and B. The ket space can be viewed
as being spanned either by the set {|c
0
i} or by the set {|/
0
i}. i.e. A representation or
B representation. Changing the set of base kets is referred to as a change of basis or
change of representation. The two bases are connected by a transformation operator.
38
Theorem 2 Given two complete and orthogonal sets of base kets, there exist a unitary
operator U such that

/
(a)
= U
c
(a)
.
Unitary operator: UU
+
= U
+
U 1
G Proof. This theorem is proved by an explicit construction of u: the summation of the
out-product of two sets of eigenket forms an operator
U =
P
I
/
(I)

c
(I)
1)
U
c
(|)
=
P
I
/
(I)

c
(I)
|c
(|)
| {z }
=

/
(|)
2)
UU
+
=
P
I,|
/
(I)

c
(I)
c
(|)

/
(|)
=
P
I
/
(I)

/
(I)
= 1
B 1.7.2 Transformation Matrix
In the matrix representation, the operator U can be expressed in the form of a matrix
in the base ket {
c
(|)
}
U = {
c
(I)
|U| c
(|)
} = {
c
(I)
|/
(|)
}
39
For an arbitrary ket in two representations
A:
|ci =
P
a
c
(a)

c
(a)
|c
B:
|ci =
P
a
/
(a)

/
(a)
|c
Relation of two representations:
/
(a)
|c
=
P
I
/
(a)
|c
(I)

c
(I)
|c
=
P
I
c
(a)
c
(I)

c
(I)
|c
Relation of an operator in two representations
/
(n)
|X| /
(a)
=
P
I,|
/
(a)
|c
(I)

c
(I)
|X| c
(|)

c
(|)
|/
(a)
=
P
I,|
c
(n)
c
(I)

c
(I)
|X| c
(|)

c
(|)
|U| c
(a)
=

c
(n)
X
o
U
c
(a)
= X
b
= U
X
o
U
A similarity transformation
40
Trace of an operator: the summation of the diagonal elements
Tr(X)
P
a
c
(a)
c
(a)
=
P
a.I.|
c
(a)
|/
(I)

/
(I)
|X| /
(|)

/
(|)
|c
(a)
=
P
a.I.|
/
(|)
|c
(a)

c
(a)
|/
(I)

/
(I)
|X| /
(|)
=
P
I.|
/
(|)
|/
(I)

/
(I)
|X| /
(|)
=
P
|
/
(|)
|X| /
(|)
The trace of X is independent of representation. We can also prove:

Tr(XY) = Tr(YX); Tr(U
XU) = Tr(X)
B 1.7.3 Diagonalization
When we know the matrix elements of B in the base {|c
0
i}. how do we obtain the
eigenvalues and eigenket of B?
B
/
(|)
= /
|
/
(|)
41
In the base ket {
/
(|)
}. the operator is expressed as

B
/
(|)

/
(|)
= /
|
/
(|)

/
(|)
B
X
|
/
(|)

/
(|)
=
X
|
/
|
/
(|)

/
(|)
B =
X
|
/
|
/
(|)

/
(|)
In the Dirac bra-ket notation, we rewrite it as

P
a
c
(n)
|B| c
(a)

c
(a)
|/
(|)
= /
|
c
(n)
|/
(|)
.
Furthermore, in the matrix form,
1
11
1
12

1
21
1
22

.
.
.
.
.
.
.
.
.
C
(|)
1
C
(|)
2
.
.
.
= /
(|)
C
(|)
1
C
(|)
2
.
.
.
where
1
na
=
c
(n)
|B| c
(a)
and
C
(|)
I
=
c
(I)
|/
(|)
As we know from linear algebra, the eigenvalues are determined by

det(B`1) = 0
EXP Example 2
42
S
a
=
~
2
0 1
1 0
det(S
a
`1) = 0 det
`
~
2
~
2
`
= 0
`
2
~
2
4
= 0 ` =
~
2
Eigenvectors?
A 1.8 Position, Momentum, and Translation
B 1.8.1 Continuous Spectra
When the eigenvalues of an observable is continuous, the dimensionality of the vector
space is innite. Denote the eigenvalue-eigenket relation by
|i = |i
43
We generalize of a vector space with nite dimension to that with innite dimension
discrete continuous
hc
0
|ci = o
o
0
o
h
0
|i = o(
0
j)
P
|c
0
i hc
0
| = 1
R
d |i h| = 1
|ci =
P
a
c
(a)

c
(a)
ci |ci =
R
d |i h| ci
hc |A| c
0
i = c
0
o
o
0
o
h ||
0
i =
0
o(
0
j)
1. The Kronecker symbol o is replaced by Diracs o -function.
2. The discrete sum over the eigenvalues is replaced by an integral over a continuous
variable.
B 1.8.2 Some properties of the ofunction.
1.
R
dro(r) = 1
2. o(r) = o(r)
3. o
0
(r) = o
0
(r)
4. ro(r) = 0
5. ro
0
(r) = o(r)
6. o(cr) =
1
o
o(r)
7. o(r
2
c
2
) =
1
2
(o(c r) +o(c r))
44
8. o(r c) ,(r) = o(r c),(c)
9.
R
dro(c r)o(/ r) = o(c /)
Representation of the ofunction
o(r) = lim
j
sin qr
:r
o(r) = lim
o0
1
:
12
o
c
a
2
o
2
Normalization in terms of the ofunction
n
t
(:) = cc
iIia
+
R
drn
I
(:)n
|
(:) = c
2
+
R
drc
i(I
i
|
i
)a
= c
2
lim
1
+1
R
1
drc
i(I
i
|
i
)a
= c
2
2: lim
1+
sin(|
a
/
a
)1
:(|
a
/
a
)
= c
2
2:o(/
a
|
a
) = o(/
a
|
a
)
c
2
2: = 1 =c = 1,
2:
B 1.8.3 Position Eigenkets and Position Measurements
To extend the idea of a ltering process to measurements of observables exhibiting
continues spectra, we consider the position operator in one dimension. The eigenkets
|r
0
i of the position operator x satisfying
x|r
0
i = r
0
|r
0
i
45
are postulated to form a complete set. The state ket for an arbitrary physical states
can be expanded in terms of {|r
0
i}
|ci =
Z
dr
0
|r
0
i hr
0
|ci
Suppose we place a very tiny detector that clicks only when the particle is precisely
at r
0
and nowhere else after the detector clicks, we can say the state in question is
represented by |r
0
i. In practice the best the detector can do is to locate the particle
within a narrow range (r
0
c

2
. r
0
c
+

2
) ( is very small). When the detector clicks,
the state ket changes abruptly as follows
|ci =
Z

d
a
0 |r
0
i hr
0
|ci measurement
2
R
a
2
d
a
0 |r
0
i hr
0
|ci .
Assume that hr
0
|ci does not change appreciably within the narrow interval, the prob-
ability that the detector clicks is given by
|hr
c
|ci|
2
.
Obviously,
+
R
|hr|ci|
2
dr = 1 = hc|ci .
In the wave mechanics, the physical state is represented by a wave function. Thus hr|ci
is the wave function in the position space for the state |ci
Wave function in position space: hr
0
|ci in |ci =
R
d
a
0 |r
0
i hr
0
|ci is the wave
function in the position space. We assume that the position eigenkets |r
0
i are complete.
46
It can be three dimensional, i.e. r
0
in |r
0
i stand for three components of the position
vectors. In this word the position is an observable, and [r
i
. r
)
] = 0.
B 1.8.4 Translation
Suppose we start with a state that is well located around r
0
, and introduce an translation
operator T(|) such that
T(|) |ri = |r +|i .
Several properties of T(|):
1. Identity operation: T(| = 0) = 1
2. Associative: T(|
1
)T(|
2
) = T(|
1
+|
2
)
3. Inverse operation: T(|)T(|) = 1 T(|) = T
1
(|)
4. Probability conservation: T(|)
T(|) = 1
From the denition we have
hr| T(|)
= hr +|| .
T(|)
T(|)
= hr +||r +|i = hr|ri .

This leads to the property (4). We now consider an innitesimal translation | = or 0.
We demonstrate that if T(or) is taken to be
T(or) 1 iKor + 0((or)
2
)
47
where K is an Hermitian operator K
= K. then all properties listed are satised.

Let us check them one by one.
1. or = 0 :
T(or = 0) = 1
2. T(or
1
)T(or
2
) = T(or
1
+or
2
) :
(1 iKor
1
)(1 iKor
2
)
= 1 iK(or
1
+or
2
) + 0(or
1
or
2
)
3. T(or)T(or) = 1
(1 +iKor)(1 iKor) = 1 iK
2
(or)
2
= 1
4. T(or)
T(or) = 1
(1 iKor)
(1 iKor) = (1 +iK
or)(1 iKor)
= 1 +i(K
K)or + 0((or)
2
)
48
Commutation relation of x and K:
xT(or) |ri = x|r +ori = (r +or) |r +ori
T(or)x|ri = T(or)r|ri = rT(or) |ri = r|r +ori
= (xT(or) T(or)x) |ri = or|r +ori
= (ixKor +iKxor) |ri = or|r +ori or|ri
= [x. K] = i
x and K do not commute with each other!
Momentum Operator in the Position Basis.
Translation Operator for an innitesimal small displacement is dened as
(T(or) = 1 iKor). Let T(or) act on an arbitrary state
|ci T(or) |ci =
Z
drT(or) |ri hr|ci =
Z
dr|r +ori hr|ci
=
Z
dr|ri hr or|ci r +or r
=
Z
dr|ri (hr|ci
J
Jr
hr|ci or) =
Z
dr|ri (1 or
J
Jr
) hr|ci
also =
Z
dr|ri hr| T(or) |ci =
Z
dr|ri hr| (1 iKor) |ci
=
Z
dr|ri (hr|ci iKhr|ci or) =K = i
J
Jr
49
Consider an ideal wave function
hr|ci =
1
(2:)
12
c
+ijx~
which has the momentum j
Khr|ci =
j
~
hr|ci
The physical signicance of K is that K is an operator for the momentum with a
proportionality factor. The factor is the Plancks constant over 2: : ~ = /,2:
L. de Broglies relation (1924):
2:
`
=
j
~
de Broglie wave is also called matter wave, any aspect of the behavior or
properties of a material object that varies in time or space in conformity
with the mathematical equations that describe waves. By analogy with the
wave and particle behavior of light that had already been established exper-
imentally, the French physicist Louis de Broglie suggested (1924) that par-
ticles might have wave properties in addition to particle properties. Three
years later the wave nature of electrons was detected experimentally. Ob-
jects of everyday experience, however, have a computed wavelength much
smaller than that of electrons, so their wave properties have never been de-
tected; familiar objects show only particle behavior. De Broglie waves play
50
an appreciable role, therefore, only in the realm of subatomic particles. The
response of the wave properties of a particle to an external force follows a
basic law of quantum mechanics that, in its mathematical form, is known
as the Schrdinger equation.
The momentum operator in the position space
p = i~
J
Jr
.
The commutation relation:
[x. p] = i~
[x. p],(r) = (xp px),(r) = i~r
J
Jr
,(r) +i~
J
Jr
(r,(r))
= i~r
J
Jr
,(r) +i~r
J
Jr
,(r) +i~,(r).
Therefore
[x. p],(r) = i~,(r).
In the momentum space,
[x. p]q(j) = i~q(j).
[x. p]q(j) = (xp px)q(j)
=

i~
J
Jj
j ji~
J
Jj
q(j) = i~q(j).
51
x =i~
J
Jj
.
A 1.9 The Uncertainty Relation
The commutation relation [x. p] = i~ shows that the position and the momentum are
incompatible. This relation leads to the famous uncertainty relation
(x)
2

(p)
2
~
2
,4
Let A ad B be observables. Dene A AhAi. The expectation value of h(A)
2
i
is known as the dispersion of A. For any pair of operators, A and B, we have
(A)
2

(B)
2
|h[A. B]i|
2
,4.
The uncertainty relation can be understood from the postulate of measurement. For
an eigenstate of A,
(A)
2
= 0.
If a simultaneous eigenstate of A and B, we have
(A)
2

(B)
2
= 0
Before presenting a proof of the uncertainty relationship, I introduce several examples
rst.
52
EXP Example 3
A plane wave with a momentum j
0
:
c
j
0
(r) =
1
(2:~)
12
exp[ij
0
r,~]
The probability to nd x is a constant in the whole space,
c
j
0
(r)
2
=
1
2~
.
j = j
0
hri 0;

r
2
+
EXP Example 4
A particle at r = r
0
:
c
a
0
(r) = o(r r
0
)
In the momentum space,
c
a
0
(r) = o(r r
0
)
=
Z
dj
2:~
c
ij(aa
0
)~
c(j) = c
ija
0
~
53
r = r
0
hji 0;

j
2
+
EXP Example 5
A Gaussian wave package:
c(r) =
1
:
14
r
12
0
exp[r
2
,2r
2
0
]
The particle is mainly conned in the regime, or r
0
. In the k
space,
c(j) =
1
(2:)
12
Z
c(r)c
ija~
dr
=
1
(2:)
12
Z
1
:
14
r
12
0
exp[r
2
,2r
2
0
ijr,~]dr
=
1
(2:)
12
Z
1
:
14
r
12
0
exp[
1
2
r
r
0
+
ijr
0
~
2
]drexp[
1
2
jr
0
~
2
]
=
2:
14
r
12
0
(2:)
12
Z
1
:
12
2r
0
exp[
1
2
r
r
0
+
ijr
0
~
2
]drexp[
1
2
jr
0
~
2
]
=
r
0
:
14
r
12
0
exp[j
2
r
2
0
,2~
2
]
The particle is mainly conned in the regime, oj ~,r
0
. Thus
oroj ~.
The proof of the uncertainty relationship
54
G Proof.
(A)
2
=

(AhAi)
2
A
2
2AhAi +hAi
2
=

A
2
hAi
2
0.
1) The Schwarz inequality
hc|ci h,|,i |hc|,i|
2
where the equality only holds if |ci = |,i .
(hc| +`
h,|)(|ci +`|,i) 0
taking ` =
ho|ci
ho|oi
= hc|ci h,|,i |hc|,i|

2
To simplify the problem, we can take hc|ci = h,|,i = 1 and |hc|,i|
2
1. Let
|ci = A|i
|,i = B|i
=
(A)
2

(B)
2
|hABi|
2
where we have used the hermiticity of A and B since they are observables,
A =(A)
.
55
2)
AB =
1
2
(ABBA)
+
1
2
(AB+BA)
=
1
2
[A. B] +
1
2
{A. B}
=
1
2
[A. B] +
1
2
{A. B}
Anti-Hermitian of [A. B]:
[A. B]
= (ABBA)
= (AB)
(BA)
= B
= [A. B]
Hermitian of {A. B}
({A. B})
+
= {A. B}
56
3) a. The Hermitian operator has only purely real expectation value
H
= H =
H|/i = /|/i
h/| H
= h/| /
;
=
h/|H| /i = /
= /
=/ = /
b. The anti-Hermitian operator has only purely imaginary expectation value

Q
= Q.
Q|i = |i . h| Q
h|
h |Q| i = .
= =
Therefore
hABi =
1
2
h[A. B]i +
1
2
(h{A. B}i)
= +i ImhABi + Re hABi
|hABi|
2
=
1
4
|h[A. B]i|
2
+
1
4
|h{A. B}i|
2
1
4
|h[A. B]i|
2
(A)
2

(B)
2

1
4
(h[A. B]i)
2
57
For the position and momentum operators,
[x. p] = i~
(x)
2

(p)
2
~
2
,4
Since the position and momentum operators are incompatible, [x. p] 6= 0. we cannot
nd a complete set of simultaneous eigenkets for x and p such that the two observables
can be measured at the same time. For instance for an eigenstate of x, x|ri = r|ri, it
is not an eigenstate of the momentum. It can be spanned in the momentum space,
p|ri = p
Z
dj |ji hj|ri =
Z
djj |ji hj|ri .
You may have an expectation value for p.
EXP Example 6
Momentum Determination Experiment
We assume that the particle is an atom in an excited state,
which will give o a photon that has the frequency i
0
if the atom is at
rest. Because of the Doppler eect, the motion of the atom toward
the observer with speed \ means that the observed frequency is
given approximately by
i i
0
(1 +
\
c
) =\ = c(
i
i
0
1)
58
Accurate measurement of the momentum :\ by measurement of
the frequency i requires a relatively long time t; the minimum error
in the frequency measurement can be shown to be i 1,t. The
instant at which the photon is emitted is uncertain by t, at this
instant, the momentum of the atom decreases by ~i,c , and its
velocity decreases by ~i,:c . This makes the subsequent position
of the atom uncertain by the amount r
~
nc
t. Since the later
the photon is emitted, the longer the atom has the higher velocity
and the farther it will have traveled. This position uncertainty arises
entirely because of the niteness of t. If t were zero, and we knew
the velocity and the velocity change on emission of photon, we would
know where the atom is at each instant; it is because t is nite that
we do not know when the velocity changed and hence where the
atom is later times. The momentum uncertainty is obtained:
j
a
:\ :c(
i
i
0
1)
:c
i
0
i
:c
i
0
t
In the nonrelativistic case considered here \,c << 1 = i i
0
Therefore
r j ~
59
EXP Example 7
2 2 matrix: Suppose a 2 2 matrix X is written as
A = c
0
o
0
+c o
=
c
0
0
0 c
0
0 c
i
c
i
0
0 ic
j
ic
j
0
c
:
0
0 c
:
c
0
+c
:
c
a
ic
j
c
a
+ic
j
c
0
c
:
where c
0
and c
i
are real.
Eigenvalues of X:
det(A `1) = 0
60
det
c
0
+c
:
` c
a
ic
j
c
a
+ic
j
c
0
c
:
`
= (c
0
+c
:
`)(c
0
c
:
`) (c
a
ic
j
)(c
a
+ic
j
)
= (c
0
`)
2
c
2
:
c
2
a
c
2
j
= 0
= `
= c
0

c
2
a
+c
2
j
+c
2
:
12
61
CN Chapter 2
CT Quantum Dynamics
This chapter is devoted exclusively to the dynamic development of state kets and/or
observables. In other words, we are concerned here with the quantum mechanical
analogue of Newtons equation of motion.
A 2.1 Time Evolution and the Schrdinger Equation
B 2.1.1 Time Evolution Operator
We now discuss how a physical state evolves with time. Suppose we have a physical
system whose state ket at t
0
is represented by |ci. Let us denote the ket corresponding
to the state at some later time t by
|c. t
0
: ti .
62
Our main task is to study the time evolution of a state ket:
|ci = |c. t
0
: t
0
i =|c. t
0
: ti .
As in the case of translation, we assume that the two kets are connected by the time-
evolution operator
|c. t
0
: ti = U(t. t
0
) |ci .
Several properties of U:
1. The identity
U(t
0
. t
0
) = 1
2. The unitarity
U
(t. t
0
)U(t. t
0
) = 1
3. The composition:
U(t
2
. t
0
) = U(t
2
. t
1
)U(t
1
. t
0
)
Because time is assumed to be continuous, we consider an innitesimal time-
evolution operator
|c. t
0
; t
0
+oti = U(t
0
+ot. t
0
) |ci
As
lim
ct0
U(t
0
+ot. t
0
) = U(t
0
. t
0
) = 1
63
we expand the operator in terms of ot
U(t
0
+ot. t
0
) = U(t
0
. t
0
) +
J
Jt
U(t. t
0
)|
t=t
0
ot +...
= 1 i
ot +...
Just like the operator K in the translation operator T(|),

is a Hermitian operator.
Whats the physical meaning of

?
We consider a simple example. In the position space
hr|c. t
0
. ti = hr|U(t. t
0
)|ci

1
(2)
12
c
i(Ia.(tt
0
))
1
(2)
12
c
iIa
r|c
i(tt
0
)
|c
t t
0
+ot = .
In the old quantum theory, the time-frequency . is postulated to be related to energy
1 = ~. (Planck-Einstein Relation)
In the classical mechanics, the energy is related to the Hamiltonian operator H , which
is also the generator of time-evolution. It is then natural to relate or dene

to the
Hamiltonian operator H:
= H,~
Thus
64
l(t
0
+ot. t
0
) = 1 i
H
~
ot +...
~ in

= H,~ and K = p,~: The two constants must be the same which can be checked
by comparing the quantum mechanical equation of motion with the classical equation
of motion, say
dx
dt
=
p
:
B 2.1.2 The Schrdinger Equation.
We are now in the position to derive the fundamental dierential equation for the time-
evolution operator U(t. t
0
) and a physical state |ci . From the composition property of
U.
U(t +ot. t
0
) = U(t +ot. t)U(t. t
0
)
=

1 i
H
~
ot
U(t. t
0
)
U(t +ot. t
0
) U(t. t
0
)
ot
=
i
~
HU(t. t
0
)
Take ot 0
+
. we obtain
i~
J
Jt
U(t. t
0
) = HU(t. t
0
)
65
Multiplying a state ket from the right sides
i~
J
Jt
U(t. t
0
) |ci = HU(t. t
0
) |ci
i~
J
Jt
|c. t
0
; ti = H|c. t
0
; ti .
Here we list several formal solutions to the Schrodinger equation for the time-evolution
operator U(t. t
0
).
Case A: The Hamiltonian operator is independent of time,
i~
J
Jt
U(t. t
0
) = HU(t. t
0
)
i~
0
0t
U(t. t
0
)
U(t. t
0
)
= H
i~
J
Jt
ln U(t. t
0
) = H
lnU(t. t
0
) ln U(t
0
. t
0
) =
i
~
Z
t
t
0
Hdt
U(t. t
0
) = exp[
i
~
H(t t
0
)]
Strictly speaking, the present derivation is not correct completely since Uis an operator,
not number. However the nal solution is exact,
exp[
i
~
H(t t
0
)] = 1
i
~
H(t t
0
) +
1
2
i
~
H(t t
0
)
2
+
Case B: The Hamiltonian H is time-dependent but the H
0
: at dierent times
commute
Z
t
t
0
dt ln U(t. t
0
) =
i
~
Z
t
t
0
dtH(t)
66
U(t. t
0
) = exp
i
~
Z
t
t
0
dtH(t)
Case C: The Hamiltonian H is time-dependent but the H

0
s at dierent times
do not commute, i.e.
[H(t
1
). H(t
2
)] 6= 0
U(t. t
0
) = 1
i
~
Z
t
0
dt
1
H(t
1
) +
(i)
2
~
2
Z
t
t
0
dt
1
Z
t
1
t
0
dt
2
H(t
1
)H(t
2
) +
= 1 +

P
a=1
(
i
~
)
a
Z
t
t
0
dt
1
Z
t
1
t
0
dt
2
...
Z
t
n
1
t
0
dt
a
H(t
1
)H(t
2
) H(t
a
)
Energy Eigenkets:
To be able to evaluate the eect of time-evolution operator on a general ket
|ci, we consider a special base ket used in expanding |ci . Assume that we know all
energy eigenkets of an time-independent H with eigenvalues 1
a
H
c
(a)
= 1
a
c
(a)
c
(a)
} forms a complete and orthogonal set of base kets. Therefore

U(t. t
0
) = exp(iH(t t
0
),~)
=
P
a.n
c
(n)

c
(n)
c
i
H
~
(tt
0
)
c
(a)

c
(a)
=
P
a.
c
i
T
n
~
(tt
0
)
c
(a)

c
(a)
.
Once the expansion of the initial ket |ci in terms of {
c
(a)
} is known,
|ci =
P
a.
c
(a)

c
(a)
ci =
P
a
C
a
c
(a)
.
67
The time-evolution operator enables us to solve any initial time problem,
|c. t
0
; ti = c
i
H
~
(tt
0
)
|ci
=
P
a.
C
a
c
i
T
n
~
(tt
0
)
c
(a)
.
In other words
C
a
(t = t
0
) = C
a
C
a
(t) = C
a
c
i
Tn
~
(tt
0
)
.
The phase of C
a
(t) changes with time, but its modulus remains unchanged. If all
eigenvalues are not degenerate, the relative phases of C
a
do vary with time and the
state ket varies with time.
A special case: if the initial state happens to be one of energy eigenkets, say
|ci =

c
(a)
. we have
|c. t
0
; ti = c
i
T
n
~
(tt
0
)
c
(a)
.
The state remains unchanged. Thus the basic task in quantum dynamics is reduced
to nd a complete set of energy eigenket and eigenvalues. It is very helpful if we can
nd a maximal set of commuting observables A, B, C,...which also commute with the
Hamiltonian
[A. B] = [B. C] = [A. C] = = 0
[A. H] = [B. H] = [C. H] = = 0
68
In the case, the energy eigenket can be characterized by the indices {c. /. c...} {/}
For example,

A|/i = c |/i .
B|/i = / |/i .

H|/i = 1
I
|/i
Therefore it is of fundamental importance to nd a complete set of mutually compatible
observables that also commute with H.
B 2.1.3 Time Dependence of Expectation Value: Spin Preces-
sion.
It is instructive to study how the expectation value of an observable changes as a
function of time. To end this we treat an example here: spin precession. We start with
a Hamiltonian of a spin 1/2 system with magnetic moment j = c~,c:
c
c subjected to
an external magnetic eld B = 1e
:
H =
c
:
c
c
S B =
c1
:
c
c
S
:
= .S
:
As
S
:
=
~
2
1 0
0 1
69
then the corresponding eigenvalues of

H are
1
=
~
2
. (= o
:
.).
Since the Hamiltonian is time-independent, the time-evolution operator for the state
ket
l(t. 0) = c
i.S
:
t~
.
The eigenkets of S
:
are
|+i =
1
0
for o
:
= +
~
2
|i =
0
1
for o
:
=
~
2
=H|i =
1
2
~. |i .
i.e., |i are also the energy eigenkets with eigenvalues ~.,2. Suppose at t = 0.
|ci = C
+
|+i +C
|i .
At a later time t,
|c. t
0
: ti = l(t. t
0
) |ci
= C
+
c
..I
2
|+i +C
c
+
..I
2
|i .
70
Specically, (1) Let us suppose the initial state |ci is the spin up state |+i .i,e. C
+
= 1
and C
= 0. then
|c. t
0
: ti = c
i
.I
2
|+i
This is a stationery state ! (2) Suppose the initial state |ci is the spin state |o
a
+i :
|o
a
+i =
1
2
12
|+i +
1
2
12
|i
At a later time t
|c. t
0
: ti =
1
2
12
c
i
.I
2
|+i +
1
2
12
c
i
.I
2
|i
The probability for the system to be found in the states |o
a
i =
1
2
(|+i |i):
ho
a
+|c. t
0
: ti
=
1
2
12
(h+| +h|)
1
2
12
(c
i
.I
2
|+i +c
i
.I
2
|i)
=
1
2
(c
i
.I
2
+c
i
.I
2
) = cos
.t
2
ho
a
|c. t
0:
ti = i sin
.t
2
|ho
a
+|c. t
0:
ti|
2
= cos
2
.t
2
;
|ho
a
|c. t
0:
ti|
2
= sin
2
.t
2
.
The total probability is conserved,
|ho
a
+|c. t
0:
ti|
2
+|ho
a
|c. t
0:
ti|
2
= 1.
71
The expectation value of S
a
is
hS
a
i = hc. t
0:
t |S
a
| c. t
0:
ti
=
~
2
|ho
a
+|c. t
0:
ti|
2
~
2
|ho
a
|c. t
0:
ti|
2
=
~
2
cos .t.
Similarly, we have
hS
j
i =
~
2
sin.t;
hS
:
i = 0.
Question: what happens if we take B = 1e
a
?
A 2.2 The Schrodinger versus the Heisenberg Picture
B 2.2.1 Unitary operators
Unitary operators are used for many dierent purposes in quantum mechanics. It
satises that U
U = 1. Under the unitary transformation that changes the state kets

it is important to keep in mind that the inner product of a state bra and a state ket
remains unchanged,
hc|,i =
c|U
U|,
.
72
Another mathematical observation is that
hc| U
X(U|,i) = hc|
XU
|,i
that follows from the associative axiom of multiplication. This identity suggests two
dierent approaches to evaluate the expectation values of physical observables under
the unitary transformation.
B 2.2.2 Two Approaches
When we are concerned with a time-dependent of a physical observable X there are
two approaches:
Approach I:
|ci |c. t
0
: ti = U(t. t
0
) |c. t
0
i
hXi
t1
= hc. t
0
: t| X|c. t
0
: ti =
XU
Approach II:
|ci |ci
X U
XU X(t)
hXi
t11
= hc|X(t)| ci =
XU
The expectation values of two approaches are the same!

hXi
t1
= hXi
t11
.
73
Approach I (The Schrodinger Picture): The state ket varies with time while
operators do not change
|ci U|ci . X X.
Recall the Schrodinger equation for the wave function, i.e., the state.
Approach II (The Heisenberg Picture): The operators vary with time while
the ket does not change
|ci |ci . X U
XU.
Recall the Heisenberg equation for operators.
We denote the operator X
(1)
in the Heisenberg picture. U(t) = U(t. t
0
). The
relation of an observable in two pictures
X
(1)
(t) = U
(t)X
(S)
U(t)
The state ket
|c. t
0
: ti
1
= |c. t
0
= 0i ;
|c. t
0
: ti
S
= U(t) |c. t
0
= 0i = U(t) |c. t
0
: ti
1
.
74
B 2.2.3 The Heisenberg Equation of Motion.
We now derive the fundamental equation of motion in the Heisenberg picture. Assume
that X
(S)
does not depend explicitly on time
d
dt
X
(1)
=
d
dt
(t)X
(S)
U(t)
=

d
dt
U
(t)
X
(S)
U(t) +U
(t)X
(S)
d
dt
U(t)
=
1
i~
U
(t)HX
(S)
U(t) +
1
i~
U
(t)X
(S)
HU(t)
= +
1
i~
U
(t)X
(S)
U(t)U
(t)HU(t)
1
i~
U
(t)HU(t)U
(t)X
(S)
U(t)
=
1
i~
[X
(1)
. H
(1)
]
i~
d
dt
X
(1)
= [X
(1)
. H
(1)
]
This is the Heisenberg equation of motion! In the case that H is time-independent or
the H s at dierent times commute we have
H
(1)
= U
HU = H
Thus
i~
d
dt
X
(1)
= [X
(1)
. H]
75
B 2.2.4 How to construct a Hamiltonian
1. For a physical system with classical analogue we assume the Hamiltonian to be
of the same form as in classical physics; we merely replace the classical r
0
i
and
j
0
i
by the corresponding operators x
i
and p
i
in quantum mechanics. With this
assumption we can reproduce the correct classical equation in the classical limit.
It is required that the Hamiltonian in quantum mechanics should be Hermitian.
2. When the physical system in question has no classical analogues, we can only
guess the structure of the Hamiltonian. We try various forms until we get the
Hamiltonian that leads to results agreeing with empirical observation.
Two useful formulas:
[x
i
. 1(p)] = i~
J
Jj
i
1
and
[p
i
. G(x)] = i~
J
Jr
i
G
where F and G are functions that can be expanded in powers of j
0
i
: and r
0
i
:. respectively.
EXP Example 1
A free particle: The Hamiltonian to describe the motion of a free
particle of mass : is taken to be of the same form as in classical
76
mechanics:
H =
p
2
2:
=
1
2:
(p
2
a
+p
2
j
+p
2
:
)
We look at the observables r
i
and j
i
(they are operators, NOT num-
bers)
d
dt
p
i
=
1
i~
[p
i
. H] = 0
d
dt
x
i
=
1
i~
[x
i
. H] =
p
i
:
=
p
i
(0)
:
So
x
i
(t) = x
i
(0) +
p
i
(0)
:
t
We know
[x
i
(0). x
)
(0)] = 0
but
[x
i
(t). x
i
(0)] = i
~
:
t
EXP Example 2
A particle in a potential.
H =
p
2
2:
+V(r)
77
The Heisenberg equation of motion leads to
dp
i
dt
=
1
i~
[p
i,
V(r)] =
J
Jr
i
V(r)
dx
i
dt
=
1
i~
[x
i,
H] =
p
i
:
Furthermore,
d
2
x
i
dt
2
=
1
i~
[
dx
i
dt
. H] =
1
i~
[
p
i
:
. H]
1
:
dp
i
dt
d
2
x
i
dt
2
= \ (r)
Newtonian Equation?
The expectation value of this equation is known as the Ehrenfest
theorem. It has the classical mechanics analogue. The reason is
that the Planck constant disappears in the equation.
A 2.3 Simple Harmonic Oscillator.
B 2.3.1 Eigenvalue and eigenstates
We consider a simple harmonic oscillator in a one-dimensional case. The basic Hamil-
tonian is
H =
j
2
2:
+
:
2
.
2
r
2
78
where r and j are Hermitian since they are physically dynamic variables. The quantum
condition is
[r. j] = rj jr = i~
As the rst step to solve the problem, we evaluate the commutator basket of r and j
with H
[r. H] =
1
2:
[r. j
2
] =
i~
:
j
[j. H] =
:.
2
2
[j. r
2
] = i~:.
2
r
Adding the two equations, we have
[r +ij. H] = ~:.
2
r +
i~
:
j
= ~:.
2
(r +i
1
1
:
2
.
2
j)
where is a constant. Here we take
=
1
:.
We have
[r i
j
:.
. H] = ~.(r i
j
:.
)
As
[r +i
j
:.
. r i
j
:.
] =
2~
:.
we take
c =

:.
2~
12
(r +i
j
:.
); c
=

:.
2~
12
(r i
j
:.
)
79
such that
[c. c
] = 1.
Furthermore,
c
c =
:.
2~
(r i
j
:.
)(r +i
j
:.
) =
H
~.

1
2
Thus
H = ~.(` +
1
2
)
where
` = c
c.
Obviously,
[H. `] = 0
i.c.. ` and H can be diagonalized simultaneously. We denote the eigenkets of ` by its
eigenvalues n. So
` |:i = :|:i
and
H|:i = (: +
1
2
)~. |:i
Whats :?
We rst note that
[c. `] = cc
c c
cc = [c. c
]c = c
80
[c
. `] = c
As a result,
`c
|:i =

[`. c
] +c
|:i
= (: + 1)c
|:i .
Likewise,
`c |:i = (: 1)c |:i
Thus c
|:i is also an eigenket of ` with eigenvalue : + 1 (increased by one). c |:i is

an eigenket of ` with eigenvalue :1 (decreased by one). So we call a the decreasing
operator and c
the increasing operator. From the point of view of energy, the increase
(decrease) of n by one amounts to the creation (annihilation) of one quantum unit of
energy. Hence the terms creation and annihilation operator for c
and c are deemed

appropriate. Since c |:i is an eigenket with : 1 . We write
c |:i = C
a
|: 1i
(h:| c
+
)(c |:i) = h: 1| (C
a
C
a
) |: 1i
c
+
c
= : = |C
a
|
2
0
81
We take C
a
real. then,
c |:i = :
12
|: 1i
Likewise,
c
|:i = (: + 1)
12
|: + 1i
Suppose we keep on applying a to both sides of the equation,
c
2
|:i = [:(: 1)]
12
|: 2i ;
c
3
|:i = [:(: 1)(: 2)]
12
|: 3i .
The sequence of the eigenket must terminate at : = 0 as : 0. If : is a non-integer,
the sequence shall not terminate and leads to eigenkets with negative eigenvalues. This
is in contradiction with : 0 . To conclude n is a nonnegative integer. The lowest
energy state, i.e. the ground state of the oscillator is
1
a=0
=
1
2
~.
The eigenstate eigenvalue
|0i
1
2
~.
|1i = c
|0i
3
2
~.
|2i =
1
2
12
(c
)
2
|0i
5
2
~.
|3i =
1
(3!)
12
(c
)
3
|0i
7
2
~.
.
.
.
.
.
.
|:i =
1
(a!)
12
(c
)
a
|0i (: +
1
2
)~.
82
Position and Momentum
r =

~
2:.
12
(c +c
+
)
j = i
:~.
2
12
(c +c
+
)
From the orthonormality conditions
h:
0
|c| :i = :
12
o
a
0
a1
:
0
= [: + 1]
12
o
a
0
a+1
In the matrix form,
c =
0 1 0 0
0 0 2
12
0
0 0 0 3
12

0 0 0 0
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
0 0 0 0
1 0 0 0
0 2
12
0 0
0 0 3
12
0
.
.
.
.
.
.
.
.
.
.
.
.
.
.
.
83
The matrix elements of r and j are
h:
0
|r| :i =

~
2:.
12
(:
12
o
a
0
a1
+ (: 1)
12
o
a
0
a+1
)
h:
0
|j| :i = i
:.~
2
12
(:
12
o
a
0
a1
+ (: 1)
12
o
a
0
a+1
)
In the position representation: the wave function
We rst derive hr|0i
c |0i = 0
= hr|c| 0i = 0
=
Z
dr
0
hr|c| r
0
i hr
0
|0i = 0
Recall
c =

:.
2~
12
(r +i
j
:.
)
hr|r| r
0
i = ro(r r
0
)
hr|j| r
0
i = i~o(r r
0
)
J
Jr
= (r +
~
:.
d
dr
) hr|0i = 0
84
Figure 2.1: Energy eigenfunctions for the rst six states of the harmonic oscillator.
Take ~,:. = r
2
0
. The solution of the equation is
hr|0i =
1
:
1
4
r
12
0
exp(
1
2
r
2
r
2
0
)
In general
hr|:i =
*
r
(c
)
a
(:!)
12
0
+
=
*
r
(c
)
a
(:!)
12
r
+
hr|0i
=
r
n+1
2
0
:
1
4
(2
a
:!)
12
(r r
2
0
d
dr
)
a
c
i
2
2i
2
0
B 2.3.2 Time Development of the Oscillator
So far we have not discussed the time evolution of oscillator state ket or observables
like c and j. Everything we did is supposed to hold at some instant of time, say t = 0.
85
Figure 2.2: The position probability density for the state n=10 of a harmonic oscillator
(solid curve) and for a classical oscillator of the same total energy (dashed line).
Now we come to see the time evolution of r and j. In the Heisenberg picture,
dj
dt
=
1
i~
[j. H] = :.
2
r;
dr
dt
=
1
i~
[r. H] =
j
:
.
d
2
j
dt
2
=
1
i~
[
dj
dt
. H] =
1
i~
[:.
2
r. H] = .
2
j;
d
2
r
dt
2
=
1
i~
[
dr
dt
. H] =
1
i~
[
j
:
. H] = .
2
r;
Equivalently,
dc
dt
= i.c =c(t) = c(0)c
i.t
dc
dt
= i.c
=c
(t) = c
(0)c
i.t
86
r(t) +
i
:.
j(t) = (r(0) +i
j
(0)
:.
)c
i.t
r(t)
i
:.
j(t) = (r(0) i
j
(0)
:.
)c
i.t
r(t) = r(0) cos .t +
1
:.
j(0) sin .t
j(t) = :.r(0) sin .t +j(0) cos .t
For any energy eigenket, we have
h:|r(t)| :i = 0
h:|j(t)| :i = 0
For a superposition of energy eigenstates such as
|ci = C
0
|0i +C
1
|1i
we have
hc|r(t)| ci =

~
2:.
(C
0
C
1
c
i.t
+C
0
C
1
c
i.t
)
12
= 2
12
A
0
|C
0
C
1
| cos(.t +o)
It is noted that the average value of the position r(t) in an energy eigenstate is always
zero.
B 2.3.3 The Coherent State
We have seen that an energy eigenstates does not behave like the classical oscillator
in the sense of oscillating expectation values for r and j no matter how large n may
87
be.
How can we construct a superposition of energy eigenstates that most closely
imitates the classical oscillator? In wave-function language, we want a wave packet that
bounces back and forth without spreading in shape. It turns out that a coherent state
does the desired job.
A coherent state:
c |ì = `|ì
Properties of |ì
1. The coherent state |ci =
P
a=0
,(:) |:i
|,(:)|
2
is of the Poisson type about some mean value n
|,(:)|
2
= (
:
a
:!
exp( :))
2. It can be obtained by translating the oscillator ground state by some nite dis-
tance.
3. It satises the minimum uncertainty relation at all time
(r(t))
2

(1(t))
2
= ~
2
,4
4. ` = ( :)
12
88
A 2.4 Schrodinger Wave Equation: Simple Harmonic
Oscillator
The Schrodinger equation (see p66 in Schis book)
H =

j
2
2:
+
:
2
.
2
r
2
= 1
To solve the problem we rst introduce the dimensionless variable = r,r
0
.
~
2
2:r
2
0
d
2
d
2
+
:
2
.
2
r
2
0
= 1
d
2
d
2
+
:
2
.
2
~
2
r
4
0
=
2:r
2
0
~
2
1
d
2
d
2
+
2
=
21
~.
= `
We take
r
2
0
=
~
:.
.
As the potential approaches innite when r + we require the wavefunction ap-
proach to zero. From the equation we have

a
c
2
2
.
We assume
H()c
2
2
.
Then
H
00
2H
0
+ (` 1)H = 0
89
Take H =
P
a
c
a
a
,
X
a
:(: 1)c
a
a2
2
X
a
:c
a
a
+ (` 1)
X
a
c
a
a
= 0
(: + 2)(: + 1)c
a+2
+ (` 2: 1)c
a
= 0
The solutions are the Hermite polynomials,
H
00
a
2H
0
a
+ 2:H
a
= 0
such that
` = 2: + 1;
1
a
= (: +
1
2
)~. (: = 0. 1. 2. ....)
Alternatively, we may write the Hamiltonian in the form
d
2
d
2
+
2
= `
1
2
+
d
d

d
d

d
d
+
d
d
= `
c =
1
+
d
d
;
c
=
1

d
d
;
[c. c
] = 1.
90
2c
c + 1
= `
The ground state
c
0
= 0.
A 2.5 Propagators and Feynman Path Integrals
B 2.5.1 Propagators in Wave Mechanics.
Time-evolution problem with a time-independent Hamiltonian can be solved once we
expand the initial ket in terms of the eigenkets of an observable that commute with H.
|c. t
0
. ti
= exp(
i
~
H(t t
0
)) |c. t
0
i
=
P
{o
0
}
exp(
i
~
H(t t
0
)) |c
0
i
c
0
c.

t
0
=
P
{o
0
}
exp(
i
~
1
o
0 (t t
0
)) |c
0
i hc
0
|c. t
0
i
91
Multiplying both sides by hr| on the left, we have
hr|c. t
0
: ti
=
P
o
0
exp(
i
~
1
o
0 (t t
0
)) hr|c
0
i hc
0
|c. ti
=
Z
dr
0
P
o
0
exp(
i
~
1
o
0 (t t
0
)) hr|c
0
i hc
0
|r
0
i hr
0
|c. t
0
i
=
Z
dr
0
1(r. t. r
0
. t
0
0
) hr
0
|c. t
0
i
where
1(r. t. r
0
. t
0
0
) =
P
o
0
hr|c
0
i hc
0
|r
0
i c
.
~
1
a
0 (tt
0
)
Denote by
c
(r. t) the wave-function
c
(r. t) hr|c. t
0
: ti
we have
c
(r. t)
Z
dr
0
1(r. t. r
0
. t
0
0
)
c
(r
0
. t)
We call the kernel of the integral operator 1 as the propagator in the wave mechanics.
In any given problem the propagator depends only on the potential and is independent
of the initial and nal wave-function. It can be constructed once the energy eigenvalues
and eigen functions are given. Clearly the time evolution of the wave function is com-
pletely predicted if 1 is known and
c
(r
0
. t) is given initially. The only peculiar feature,
if any, is that when a measurement intervenes, the wave function changes abruptly in
an uncontrollable way into one of the eigen functions of observable being measured.
92
Two Properties of 1:
1. For t t
0
, 1 satises the Schrodingers time-dependent wave equation in the
variables r
0
an t with r and t
0
xed.
i~
J
Jt
1(r. t. r
0
. t
0
0
) = H1(r. t. r
0
. t)
G Proof.
1(r. t. r
0
. t
0
0
) =
P
o
0
hr|c
0
i hc
0
|r
0
i c
.
~
1
a
0 (tt
0
)
i~
J
Jt
1(r. t. r
0
. t
0
0
) =
P
o
0
hr|c
0
i hc
0
|r
0
i 1
o
0 c
.
~
1
a
0 (tt
0
)
=
P
o
0
hr| 1
o
0 c
.
~
1
a
0 (tt
0
)
|c
0
i hc
0
|r
0
i
=
P
o
0
hr| Hc
.
~
1(tt
0
)
|c
0
i hc
0
|r
0
i
= hr| Hc
.
~
1(tt
0
)
|r
0
i
= H(r)1(r. t. r
0
. t)
1.
lim
tt
0
1(r. t. r
0
. t
0
0
) = o(r r
0
)
93
G Proof.
lim
tt
0
1(r. t. r
0
. t
0
0
) = lim
tt
0
P
o
0
hr|c
0
i hc
0
|r
0
i c
i
T
a
0
~
(tt
0
)
= lim
tt
0
P
o
0
hr|c
0
i hc
0
|r
0
i = hr|r
0
i = o(r r
0
)
The propagator K is simply the Greens function for the time-dependent wave equation
satisfying
(
~
2
2:
2
+\
(a)
i~
J
Jt
)1(r. t. r
0
. t
0
0
) = i~o(r r
0
)o(t t
0
) (2.1)
With the boundary condition
1(r. t. r
0
. t
0
0
) = 0 for t < t
0
The o-function o(t t
0
) is needed on the right hand side of the Eq.(2.1) because K
varies discontinuously at t = t
0
.
EXP Example 3
A free particle in 1D
The Hamiltonian is expressed as
H =
P
2
2:
The momentum

P commutes with H. Hence |1i is a simultaneous
94
eigenket of the operators

P and

H.
P|ji = j |ji
H|ji =
j
2
2:
|ji
Thus
1(r. t. r
0
. t
0
0
)
=
P
j
hr|ji hj|r
0
i exp
i
j
2
2:~
(t t
0
)
=
Z
dj
2:~
exp
i
jr
~
i
jr
0
~

j
2
2:~
(t t
0
)
=
+
Z
dj
0
2:~
exp
i
t t
0
2:~
(1
:(r r
0
)
t t
0
)
2
+i
:(r r
0
)
2
2~(t t
0
)
= lim
c0
+
+
Z
dj
2:~
exp
c|j| i
t t
0
2:~
(1
:(r r
0
)
t t
0
)
2
+i
:(r r
0
)
2
2~(t t
0
)
=

:
2:i~(t t
0
)
12
exp(i
:(r r
0
)
2
2~(t t
0
)
)
Certain space and time integral derivable from1 are of considerable.
Without loss of generality, we set t
0
= 0 in the following
95
(1) r = r
0
G(t) =
Z
dr1(r. t. r. 0)
=
Z
dr
P
o
hr|ci hc|ri c
i
T
a
I
~
=
Z
dr
P
o
hc|ri hr|ci c
i
T
a
I
~
=
P
o
hc|ci c
i
T
a
I
~
= Tr(c
i1t~
)
(2) Let us consider the Laplace-Fourier transform of G(t).
G(1) i
Z
0
dtG(t)c
i1t~.t~
( 0
+
)
= i
Z
0
dt
X
o
c
i(11
a
+i.)t~
=
X
o
1
1 1
o
+i
( 0
+
)
The complete energy spectrum is exhibited as simply poles of

G(1)
in the complex plane.
EXP Example 4
96
The propergator for the simple harmonic oscillator
1(r
00
. t; r
0
. t
0
) =
r
:.
2:i~sin[.(t t
0
)]
exp
i:. {(r
002
+r
02
) cos .(t t
0
) 2r
00
r
0
}
2~sin[.(t t
0
)]
B 2.5.2 Propagator as a Transition Amplitude

To gain further insight into the physical meaning of the propagator, we rewrite it in an
alternative form, which is related to the concept of transition amplitude.
1(r. t. r
0
. t
0
) =
P
o
hr|ci hc|r
0
i c
i1a(tt
0
)~
=
X
o
D
r
.TaI
~
c
ED
c
c
.TaI
0
~
r
0
E
=
X
D
r
.1I
~
c
ED
c
c
.1I
0
~
r
0
E
= hr. t|r
0
. t
0
i
Where |r. ti and |r
0
. t
0
i are to be understood as an eigenket and of the position operators
in the Heisenberg picture. Roughly speaking, hr. t|r
0
. t
0
i is the amplitude for the particle
to go from a space-time point (r0. t
0
) to another one (r. t).
97
Figure 2.3: Paths in x-t plane.
B 2.5.3 Path Integral as the Sum Over Paths
Without loss of generality we restrict ourselves to one-dimensional problem. The entire
time interval between t
i
= t
1
and t
)
= t
.
is divided into ` 1 equal parts.
t
)
t
)1
= t =
t
.
t
1
` 1
(, = 1. ...`)
Exploiting the composition property we obtain
hr
.
. t
.
|r
1
. t
1
i
=
Z
dr
.1
Z
dr
.2
...
Z
dr
2
hr
.
. t
.
|r
.1
. t
.1
i hr
.1
. t
.1
|r
.2
. t
.2
i
... hr
2
. t
2
|r
1
. t
1
i
98
Before proceeding further, it is protable to review here how paths appear in classical
mechanics. Suppose we have a particle subjected to a force eld, say gravitional eld.
\ (r) :qr
(r
1
. t
1
) (/. 0)
(r
.
. t
.
) (0.
2/
q
12
)
The classical Lagrangian is written as
1
c
(r. r) =
1
2
: r
2
\ (r)
According to Hamiltonians principle, the unique path is determined by minimizing the
action
o
t
^
Z
t
1
dt1
c
(r. r) = 0
Lagraingian equation:
J1
c
Jt

d
dt
J1
c
J r
= 0
B 2.5.4 Feynmans Formalism
The basic dierence between classical mechanics and quantum mechanics should be
apparent: In classical mechanics, a denite path in r t plane is associated with the
particles motion; in contrast, in quantum mechanics all possible paths must play roles
99
including those which do not bear any resemblance to the classical path. Yet the
dierence should disappear when ~ 0. To formulate Feynmans approach, let us go
back to hr
a
. t
a
|r
a1
. t
a1
i with t = t
a
t
a1
(t 0). We write
hr
a
. t
a
|r
a1
. t
a1
i =
1
n(t)
exp [io(:. : 1),~]
where
o(:. : 1) =
tn
Z
t
n1
dt1
c
(r. r)
and n(t) is determined by
hr
a
. t
a
|r
a1
. t
a1
i |
tn=t
n1
= o(r
a
r
a1
)
Because at any given time the position kets in the Heisenberg picture form a complete
set, it is legitimate to insert the identity operator written as
Z
dr|r. ti hr. t| = 1
at any time we desire. For example,
r
)
. t
)
|r
i
. t
i
=
Z
dr
r
)
. t
)
|r. t

r. t|r
i
. t
i
=
Z
drdr
0
r
)
. t
)
|r
0
. t
0
hr
0
. t
0
|r. ti
r. t|r
i
. t
i
= ...
and so on. If we somehow guess the form of hr
2
. t
2
|r
1
. t
1
i for a nite time interval by
compounding the appropriate transition amplitude for innitesimal time interval. This
100
property leads to formulate a space-time approach to quantum mechanics. Our task is
to evaluate the t 0 limit of o(:. : 1). As t 0.
o(:. : 1) =
t
n
Z
t
n1
dt(
1
2
: r
2
\ (r))
= t(
1
2
:(
r
a
r
a1
t
)
2
\ (
r
a
r
a1
2
))
For a free-particle case, \ = 0,
hr
a
. t
a
|r
a1
. t
a1
i |
t
n
=t
n1
= o(r
a
r
a1
)
we obtain
1
n(t)
=

:
2:i~t
12
where we have used
:
2:i~t
12
c
i
r
2r.~I
2
d = 1
and
lim
t0
:
2:i~t
12
c
i
r
2r.~I
2
= o()
To summarize, as t 0. we obtain
hr
a
. t
a
|r
a1
. t
a1
i =

:
2:i~t
12
c
i
V(n,n1)
~
101
The nal expression for the transition amplitude with t
.
t
1
is
hr
.
. t
.
|r
1
. t
1
i = lim
.+
(
:
2:i~t
)
^1
2
Z
dr
.1
dr
.2
...dr
2
.
Y
a=2
c
i
S(n,n1)
~
hr
.
. t
.
|r
1
. t
1
i
a
^
Z
a
1
D(r(t
1
))c
i
I
^
I
1
1
c
(a, a)ot~
This is Feynmans path integral!
Motivated by Dirac, Feynman attempted a new formulation of quantum me-
chanics based on the concept of paths. The ideas we borrowed from the conventional
form of the quantum mechanics are
The superposition principle (used in summing the contribution from various al-
ternate paths);
The composition property of the transition amplitude;
The classical correspondence in the ~ 0 limit.
A 2.6 The Gauge Transformation and Phase of Wave
Function
B 2.6.1 Constant Potential
In classical mechanics, it is well known that the zero point of potential energy is of no
physical signicance. The force that appears in Newtons second law depends only on
102
the gradient of the potential; an additive constant is clearly irrelevant. e.g.
:
d
dt
= , :
:q c1
5c
j
5c
c
when c c +c
0
:
d
dt
= , :
d
dt
= ,
Let us look at the time evolution of a Schrodinger picture state ket subject to some
potential
\ (r) = \ (r) +\
0
H =
1
2
2:
+\ (r) =H =
1
2
2:
+\ (r) +\
0
|c. t
0
: ti =
^
|c. t
0
: ti =?
To be precise we consider a time-independent H
|c. t
0
: ti = c
i
1
~
(tt
0
)
|c. t
0
i
Thus
^
|c. t
0
: ti = c
i
1
0
(II
0
)
~
|c. t
0
: ti
For a stationary state, if the time-dependence computed with \ (r) is
c
i1(tt
0
)~
103
Figure 2.4: Quantum-mechanical interference to detect a potential dierence.
then the corresponding time dependence computed with \ (r) +\
0
is
c
i(1+\
0
)(tt
0
)~
Even though the choice of the absolute scale of the potential is arbitrary,
potential dierence are of non-trivial physical signicance and in fact, can be detected
in a very striking way. A beam of charged particles is split into two parts, each of
which enters a metallic cage. A particle in the beam can be visualized as a wave packet
whose dimension is much smaller than the dimension of the cage. Inside the cage the
potential is spatially uniform. Hence the particle in the cage experience no force. If we
desire, a nite potential dierence between the two cages can be maintained by turning
on a switch. The nal state which the two beams reach at interference region is
|,i =
1
2
12
|c. t
0
: ti
1
+
1
2
12
|c. t
0
: ti
11
Thus
h,|,i = 1 + cos [(\
1
\
11
)t,~]
104
This is an observable eect! This is a purely quantum mechanical eect and has no
classical analogue.
B 2.6.2 Gauge Transformation in Electromagnetism
We rst recall the Maxwells equations
D = 4:j;
H =
4
c
J +
1
c
0D
0t
;
B = 0;
E =
1
c
0B
0t
D = E+ 4:P
H = B4:M
We introduce a scalar potential c and a vector potential A
B = 5A
E = 5c
1
c
0
0t
A
Then the Maxwells equations are reduced to
5
2
c
1
c
2
0
2
0t
2
c = 4:j
5
2
A
1
c
2
0
2
0t
2
A =
4
c
J
with
5 A+
1
c
Jc
Jt
= 0
105
Under the gauge transformation.
A A+5
c c
1
c
0
0t
with
5
2

1
c
2
J
2
Jt
2
= 0
the Maxwells equations keep unchanged! In quantum mechanics, the Hamiltonian for
a particle of electric charge c ( c < 0 for electron in Sakurais book), subjected to the
electromagnetic eld is taken from classical physics to be
H =
1
2:
(p
c
c
A)
2
+cc
=
1
2:
(p
2
c
c
p A
c
c
A p +
c
2
c
2
A
2
) +cc
6=
1
2:
(p
2
2c
c
p A+
c
2
c
2
A
2
) +cc
because p and A do not commute, [p. A] 6= 0. It is straightforward to examine that the
Hamiltonian in this form is Hermitian, H = H
. To study the dynamics of a charged

particle subjected to c and A, let us rst proceed in the Heisenberg picture:
d
dt
r
i
=
1
i~
[r
i
. H] =
1
:
(j
i
c
c
i
)
where i = r. . .. Dene
: :
dx
dt
= p
c
c
A
106
We call that p is canonical momentum and : is kinetic (or mechanical) momentum.
The commutation relation of :
i
and :
)
is
[:
i
. :
)
] =
i~c
c
(
J
Jr
i
J
Jr
)
i
)
= i
~c
c
c
i)I
(5A)
I
Hence the Hamiltonian can be rewritten as
H =
:
2
2:
+cc
We now study the Schrodingers equation with c and in the position space.
D
r
(p
c
c
A(r))
2
c. t
0
: t
E
=
Z
dr
1
Z
dr
2
D
r
(p
c
c
A(r))
r
1
ED
r
1
(p
c
c
A(r)) |r
2
i hr
2
c. t
0
: t
E
= (i~ 5
c
c
A(r))
2
hr|c. t
0
: ti
Thus the Schrodingers equation is derived as
[
1
2:
(i~ 5
c
c
(r))
2
+cc] hr|c. t
0
: ti = i~
J
Jt
hr|c. t
0
: ti
Denote
,(r. t) hr|c. t
0
: ti
and
j = ,
(r),(r)
107
The time derivative of the density is
J
Jt
j = (
J
Jt
,
), +,
J
Jt
, = 5j
J
Jt
j +5 j = 0
where
j =
~
:
Im(,
5,)
c
:c
A|,|
2
For
, = j
12
c
iS~
j =
j
:
(5o
c
c
A)
B 2.6.3 The Gauge Transformation
In quantum mechanics, we consider the gauge transformation
c c
+5
e.g. Consider a uniform magnetic eld in z direction
B = 1 . = (
J
Jr
J
J
a
) .
To derive the eld, we can choose
(1).
a
=
1
2
1.
j
=
1
2
1r.
108
(2).
a
= 1.
j
= 0.
These two vector potentials are connected by a gauge transformation
A A+5(
1r
2
)
Let us denote by |ci the state ket in the presence of A, and | ci the state ket in the
presence of A+5(
1aj
2
). The Schrodingers equations for these two state kets are
[
1
2:
(p
c
c
A)
2
+cc] |c. t
0
: ti = i~
J
Jt
|c. t
0
: ti
[
1
2:
(p
c
c
A
c
c
5)
2
+cc]
^
|c. t
0
: ti = i~
J
Jt
^
|c. t
0
: ti
Whats the relation of |c. t
0
: ti and
^
|c. t
0
: ti ?
We come to construct an operator G such that
| ci = G |ci
with GG
=1.
G
[
1
2:
(p
c
c
A
c
c
5)
2
+cc]G |c. t
0
: ti = i~
J
Jt
|c. t
0
: ti
We require
(1). hc|x|ci = h c|x| ci :
G
rG =r
109
(2).

c|p
c
c
A|c
=
D
c|p
c
c

A| c
E
:
G
p
c
c
A
c
c
5
G =

p
c
c
A
[p. G] = +
c
c
5
G
(i~G) = +
c
c
5
i~ln G = +
c
c
5
G = exp
h
i
c
~c
i
Therefore, if we take
| ci = c
i
c
~c
|ci
then
c
i
c
~c
(
1
2:
(p
c
c
A
c
c
5)
2
+cc)c
i
c
~c
=
1
2:
(p
c
c
A)
2
+cc
The two wave-function are related via
,(r. t) = c
i
c
~c
,(r. t)
110
Figure 2.5:
In the form , = j
12
exp[io,~].we have
A A+
j j
o o +
c
c
B 2.6.4 The Aharonov-Bohm Eect

Consider a particle of charge e going above or below a very long impenetrable cylinder,
as shown in Fig.
Inside the cylinder is a magnetic eld parallel to the cylinder axis, taken to be
normal to the plane of Fig. So the particle paths above and below enclose a magnetic
ux.
Assume the magnetic eld
B =
1 . if j < j
o
0 if j j
o
111
Hence the particle does not experience the Lorentz force outside cylinder.
A =
(0.
1
2
1j. 0), if j < j
o
(0.
1
2j
1j
2
o
. 0), if j j
o
Our object is to study how the probability of nding the particle in the interference
region B depends on the magnetic ux. For pedagogical reason we prefer to use the
Feynman path-integral method to attack this problem.
In the presence of the magnetic eld, the Lagrangian can be obtained
1
(0)
c
=
1
2
: r
2
1
2
: r
2
+
c
c
r A
where r = dx,dt. The corresponding change in the action is given by
o
(0)
(:. : 1) o
(0)
(:. : 1) +
c
c
tn
R
t
n1
dt r A
= o
(0)
(:. : 1) +
c
c
an
R
a
n1
d
| A
where d
| is the dierential line element along the path segment. So when we consider
the entire contribution from r
1
to r
a
.We have
Q
a
exp(io
(0)
(:. : 1),~)
=
Q
a
exp(io
(0)
(:. : 1),~) exp(
ic
~c
an
R
a
n1
A d
|)
The entire transition amplitude is
R
obcc
1
[a
(I)
]
c
i
S
(0)
(^,1)
~
c
i
c
~c
i
n R
i
1
Ao
|
alorc
+
R
bc|c&
1
[a
(I)
]
c
i
S
(0)
(^,1)
~
c
i
c
~c
i
n R
i
1
Ao
|
lcIou
112
The probability for nding the particle in the interference region B depends on the
modulus square of the entire transition amplitude and hence on the phase dierence
between the contribution from the paths going above and below. i.e.
j 1 + cos(,
1
,
2
)
where
,
1
,
2
=
c
~c
(
an
R
a
1
A d
|
obcc
an
R
a
1
A d
|
bc|c&
)
=
c
~c
I
A d
|
=
c
~c
ZZ
A dc
=
c
~c
c
1
where c
1
stands for the magnetic ux inside the impenetrable cylinder. This means
that as we change the magnetic eld strength, there is a sinusoidal component in the
probability for observing the particle in region B with a period given by a fundamental
unit of magnetic ux, namely
2:~c
|c|
= 4.135 10
7
Gauss-cm
2
We emphasize that the interference eect discussed here is a purely quantum mechani-
cal. Classically the motion of a charged particle is determined by the Newtons second
law supplemented by the force law of Lorentz. In this problem the magnetic eld is
113
conned in the cylinder, and the particle experiences no force. However the vector
potential exists in the outside of cylinder. It seems that the vector potential A is more
fundamental than the magnetic eld B. It is to be noted that the observable eect
depends on the magnetic ux not A directly. This eect has been observed experimen-
tally.
B 2.6.5 Magnetic Monopole
Suppose there is a point magnetic monopole situated at the origin,
B =
c
A
:
2
r.
which satises the equation
B =4:c
A
o(r)
The solution for the vector potential,
B = A
= r
1
: sin o
J
Jo
(
sino)
J
0
Jc
1
:
1
sin o
J
v
Jc

J
J:
(:
1
:
J
J:
(:
0
)
J
v
Jc
If there is no singularity in the vector potential, we would have

(A) = 0.
114
This violates the assumption,
Z
B dS =4:c
A
The solution I
A =
c
A
(cos o 1)
: sin o
The solution is singular at o = :. We construct a pair of potentials

A
(1)
=
c
A
(cos o 1)
: sin o
for o < : , and

A
(11)
=
c
A
(cos o + 1)
: sino
for o . We can get a solution for B, but A is doubly valued. The dierence of the
vector potential is
A
(1)
A
(11)
=
2cc
A
: sin o
In the form of the gradient,

= (2c
A
c) =
2cc
A
: sin o
.
The the wave functions in two dierent vector potentials will dier by
(11)
= exp
2icc
A
c
~c
(1)
.
The wave function must be single valued because once we choose particular gauge,
the expansion of the state ket in terms of the position eigenkets must be unique. Let
115
us examine the behavior of the wave function
(11)
, on the equator o = :,2 with a
denite radius :, which is a constant. When we increase the azimuthal angle c along
the equator from 0 to 2:,
(11)
as well as
(1)
must return to its original value because
the two functions must be single-valued. This is possible only if
2cc
A
~c
= `
c
A
=
~c
2 |c|
. 2
~c
2 |c|
.
The elementary magnetic charge must be quantized.
We should emphasize that quantum mechanics does not require the existence
of magnetic monopole.
A 2.7 Interpretation of Wave Function.
B 2.7.1 Whats
(r)?
Since
|c. t
0
: ti =
Z
dr|ri hr|c. t
0
: ti =
Z
dr|ri
c
(r. t)
c
(r. t) is regarded as an expansion coecient of |c. t
0
: ti in terms of the position
eigenkets {|ri}. The quantity
j(r. t) = |
c
(r. t)|
2
116
is dened as the probability density. So j(r. t)dr is the probability that the particle
appears in a narrow range round r at time t. This is the so-called the probabilistic
interpretation of wave function.
The Continuity Equation.
J
Jt
j(r. t)
=

J
Jt
(r. t)
(r. t) +
(r. t)
J
Jt
(r. t)
=
1
i~
(H
)+
1
i~
H
Assume
H =
~
2
2:
2
+\
J
Jj
j(r. t) = i
1
2:
~(
(
2
) (
2
)) +
1
i~
(\ \
117
As
2
= (
) (
)()
= (
) ()(
)
J
Jt
j = i
~
2:
(
) +
1
~
Im(\ ) j
J
Jt
j + j =
1
~
Im(\ ) j
j =
i~
2:
(
) =
~
:
Im(
)
The probability ux.
When \ is purely real, we have
J
Jt
j + j = 0
This is the conservation law for probability.
Question: what happens if \ is not real? When \ is complex, which is
often used for nuclear reaction for particles absorbed by nuclei, it is accounted for
the disappearance of particles.
Except for the probability density, the wave function contains more physics
than expected. Let us write it as
(r. t) = j(r. t)
12
exp[io(r. t),~]
118
with j 0 and o real.
= j
12
j
12
+
i
~
jo
= j =
j
:
o
The spatial variation of the phase of the wave function characterizes the probability
ux; the stronger the phase variation, the more intense the ux. The direction of j at
some point r is seen to be normal to the surface of a constant that goes through that
point. Since j is a ux, j can be rewritten as
j = j(o,:) jv
This physical meaning is still unclear. It is not a velocity traditionally!
B 2.7.2 The Classical Limit
Substituting = j
12
c
iS~
into a Schrodinger equation leads to
~
2
2:
(
2
j
12
+
2i
~
j
12
o)
1
~
2
j
12
|o|
2
+ (
i
~
)j
12
2
o +j
12
\
= i~(
Jj
12
Jt
+
i
~
j
12
Jo
Jt
)
Taking ~ 0 , we obtain
1
2:
|o(r. t)|
2
+\ (r) +
J
Jt
o(r. t) = 0
119
Figure 2.6: One-dimensional square well potential with (a) perfectly rigid walls (b)
nite potential.
This is the Hamilton-Jacobi equation in classical mechanics. In this sense, the Schrodinger
equation goes back to the classical mechanics in the limit ~ 0. In the classical me-
chanics o(r. t) stands for Hamiltonian principal function. In a stationary state with
time dependent c
i1I~
. the Hamiltons principle function S is separable
o(r. t) = \(r) 1t
120
A 2.8 Examples
B 2.8.1 One dimensional square well potential
C Perfect rigid wall
\ (r) =
0. |r| c
+. |r| c
Since the potential is innite at |r| c the wave function must vanish at the points
r = c. The wave function for |r| c is simply
~
2
2:
d
2
n
dr
2
= 1n.
Introduce a dimensionless quantity r = c.
d
2
d
2
n =
2:c
2
~
2
1n = c
2
n
where c = (2:c
2
1,~
2
)
12
. The general solution is
n() = sin c +1cos c.
Application of the boundary conditions at r = c, i.e., = 1, gives
sinc +1cos c = 0
sinc +1cos c = 0
There are two possible classes of solution
121
(1). = 0 and cos c = 0
c = (: +
1
2
): (2.2)
n = 1cos c = 1cos
(2: + 1):r
2c
(2.3)
1 =
~
2
2:
c
2
c
2
=
(2: + 1)
2
:
2
~
2
8:c
2
(2.4)
(2) 1 = 0 and sin c = 0
c = :: (2.5)
n = sin c = sin
::r
c
(2.6)
1 =
~
2
2:
c
2
c
2
=
:
2
:
2
~
2
2:c
2
(2.7)
C Finite potential step
\ (r) =
0. |r| c
\
0
. |r| c
The wave equation at |r| < c
~
2
2:
d
2
n
dr
2
= 1n
The wave equation at |r| c
~
2
2:
d
2
n
dr
2
+\
0
n = 1n
~
2
2:
d
2
n
dr
2
= (1 \
0
)n
122
The general solution for 1 < \
0
n(r) =
Cc
oa
. r c
1c
+oa
. r < c
where , = [2:(\
0
1)]
12
,~.
For 1 \
0
n(r) =
C
1
sin/r +1
1
cos /r. r c
C
2
sin/r +1
2
cos /r. r < c
The wave equation at |r| < c is the same as that in the rigid wall potential, and the
general solution is.
n() = sin /r +1cos /r.
where / = (2:1,~
2
)
12
. We now impose on the solutions (1) and (2) the requirements
that u and du/dx be continuous at r = c.
sin/c +1cos /c = Cc
oo
/sin /c /1cos /c = ,Cc
oo
sin/c +1cos /c = 1c
oo
sin/c +1cos /c = ,1c
oo
123
from which we obtain
2sin/c = (C 1)c
oo
2/cos /c = ,(C 1)c
oo
21cos /c = (C +1)c
oo
2/1sin/c = ,(C +1)c
oo
Two classes of solutions
(1) = 0 and C = 1
/ tan /c = ,
(2) 1 = 0 and C = 1
/ cot /c = ,
C Parity
The Schrodinger equation
~
2
2:
d
2
n(r)
dr
2
+\ (r)n(r) = 1n(r)
If the potential is symmetric about r = 0, \ (r) = \ (r), we have
~
2
2:
d
2
n(r)
dr
2
+\ (r)n(r) = 1n(r)
124
The n(r) and n(r) are solutions of the same wave equation with the same eigenvalues
E. Addition or subtraction these two equations gives n(r) n(r). the solution of the
Schrodinger equation. To simplify the notation, n(r) = n(r). Such wave function
are said to have even or odd parity. Note that
cos r = cos(r)
sin r = sin(r)
B 2.8.2 A charged particle in a uniform magnetic eld
Consider a charged particle in a uniform magnetic eld. Assume the particle is conned
in a two-dimensional plane, and the magnetic eld is perpendicular to the plane, say
along the z direction. The Hamiltonian is given by
H =
1
2:
(j
c
c
)
2
with
1 = 1 . = (
J
Jr
J
J
a
) .
To derive the eld, we can choose
(1).
a
= 1.
j
= 0.
(2).
a
=
1
2
1.
j
=
1
2
1r.
125
C Case (1):
a
= 1.
j
= 0.
H =
1
2:
h
(j
a
c
c
a
)
2
+ (j
j
c
c
j
)
2
i
=
1
2:
(j
a
c1
c
)
2
+ (j
j
)
2
Notice that [j
a
. H] = 0. i.e. p
a
is a good quantum number. The general form of the
wavefunction is
= c()c
ij
0
a
The Schrodinger equation H = 1 is reduced to
1
2:
(j
0
c1
c
)
2
+ (j
j
)
2
c() = 1c()
Alternatively
j
2
j
2:
+
c
2
1
2
2:c
2
(
0
)
2
c() = 1c()
with
0
=
cj
0
c1
. Thus the problem is reduced to the simple harmonic oscillator.
C Case (2).
a
=
1
2
1.
j
=
1
2
1r.
H =
1
2:
h
(j
a
c
c
a
)
2
+ (j
j
c
c
j
)
2
i
=
1
2:
(j
a
c1
2c
)
2
+ (j
j
+
c1
2c
r)
2
126
In this case both p
a
and p
j
are not good quantum numbers. We cannot solve this
problem like in the case (1). Take
:
a
= j
a
c1
2c
;
:
j
= j
j
+
c1
2c
r
[:
a
. :
j
] = 2i~
c1
2c
= i
~c1
c
H =
1
2:
:
2
a
+:
2
j
=
1
4:
[(:
a
+i:
j
)(:
a
i:
j
) + (:
a
i:
j
)(:
a
+i:
j
)]
[:
a
i:
j
. :
a
+i:
j
] =
2~c1
c
Take
c =
r
c
2~c1
(:
a
i:
j
)
c
=
r
c
2~c1
(:
a
+i:
j
)
Thus [c. c
] = 1.
H =
~c1
2:c
c +cc
=
~c1
:c
c +
1
2
~.
c +
1
2
Find the wave function for the energy eigenstates.

127
CN Chapter 3
CT Theory of Angular Momentum
This chapter is concerned with a systematic treatment of angular momentum and re-
lated topics.
A 3.1 Rotation and Angular Momentum
We consider the rotation in the space of a physical system in a state represented by
a ket |ci or the wave function ,
c
(r). We describe a rotation by a linear operator 1,
which is so dened that any vector r is rotated into the new vector 1 r. The rotation
changes the ket |ci into the new ket |c
0
i or change the wave function ,
c
(r) into the
wave function ,
c
0 (r
0
), which means
hr|ci = hr|ci
128
D
+
(1)D(1)
= hr|ci
h1r|c
0
i = hr|ci
,
c
0 (1r) = ,
c
(r)
B 3.1.1 Finite versus innitesimal rotation
From elementary physics, we know that
(1). Rotations about the same axis commute.
1
:
(
:
6
)1
:
(
:
3
) = 1
:
(
:
3
)1
:
(
:
6
) = 1
:
(
:
3
+
:
6
) = 1
:
(
:
2
)
(2). Rotation about dierent axes do not commute.
1
a
(
:
2
)1
:
(
:
2
) 6= 1
:
(
:
2
)1
a
(
:
2
)
Consider a vector V with three components \
a
. \
j
and \
:
. When we rotate
the vector, we obtain a new vector, V
1
with \
1a
. \
1j
.and \
1:
. These two vectors are
connected by a 3 3 matrix
\
1a
\
1j
\
1:
1
aa
1
aj
1
a:
1
ja
1
jj
1
j:
1
:a
1
:j
1
::
\
a
\
j
\
:
129
Figure 3.1: Example to illustrate the noncommunativity of nite rotation.
The requirement that the rotated vector \
1
be real when the vector \ are real means
that the elements of 1 are real. The length of the vector \ and \
1
do not change,
which means
(\
1a
. \
1j
. \
1:
)
\
1a
\
1j
\
1:
= \
2
a
+\
2
j
+\
2
:
\
T
1
\
1
= \
T
1
T
1\ = \
T
\
1
T
1 = 11
T
= 1
where 1 stands for a transpose of a matrix: 1
T
i)
= 1
)i
. To be denite we consider a
130
rotation about . axis by an angle c
\
1:
= \
:
\
1a
= \
a
cos c \
j
sinc = \
0
cos(c +,)
\
1j
= \
a
sin c +\
j
cos c = \
0
sin(c +,)
where \
a
= \
0
cos , and \
j
= \
0
sin,. In the matrix form, we obtain
1
:
(c) =
cos c sin c 0
sinc cos c 0
0 0 1
Similarly
1
a
(c) =
1 0 0
0 cos c sinc
0 sin c cos c
1
j
(c) =
cos c 0 sin c
0 1 0
sinc 0 cos c
We are particularly interested in an innitesimal form, from which a great deal can be
131
learned about the structure of 1. Take sinc c. cos c 1

2
2
. we have
1
a
(c) =
1 0 0
0 1
2
,2
0 1
2
,2
= 1 +C() +C(
2
) +
1
j
(c) =
1
2
,2 0
0 1 0
0 1
2
,2
1
:
(c) =
1
2
,2 0
1
2
,2 0
0 0 1
1 0 0
0 1
2
,2
0 1
2
,2
1
2
,2 0
0 1 0
0 1
2
,2
1
2
,2 0
0 1 0
0 1
2
,2
1 0
0 1
2
,2
0 1
0
2

1
2
2
+ 1
2
0
1
2
2
+ 1
1
2
2
+ 1
1
2
2
1

1
2
2
+ 1
2
+
1
2
2
+ 1

1
2
2
1
132
=
0
2
0
2
0 0
0 0 0
Elementary matrix manipulation leads to

1
a
()1
j
() 1
j
()1
a
() = 1
:
(
2
) 1.
If we just remain the quantities of rst order in , any two rotations about dierent
axes commute because 1
:
(
2
) 1
In quantum mechanics
Because rotations aect physical systems, the state ket corresponding to a
rotated system is expected to look dierent from the state ket corresponding to the
original system. Given a rotation operator 1, characterized by a 3 3 matrix 1, we
associated with an operator D(1) in the appropriate ket space such that
|ci
1
= D(1) |ci
where |ci
1
and |ci stand for the kets of the rotated and unrotated systems, respectively.
To construct the rotation operator, it is again fruitful to examine rst its properties
under an innitesimal rotation
D(ndc) = 1 i
J n
~
dc
we dene J
I
the /- component of the angular momentum. A nite rotation can be
133
obtained by compounding successively innitesimal rotation about the same axis
D
:
(c) = lim
.+
[D
:
(
c
`
)]
.
= lim
.+
(1 i
J
:
~

c
`
)
.
=

lim
.+
(1 i
J
:
~

c
`
)
.~(iJ:)
:
~

= exp(i
J
:
~
c)
Denition: lim
a+
(1 +
1
r
)
a
c
In order to obtain the angular momentum commutation relations we need
more concepts. For every 1, there exists a rotation operator D(1) in the appropriate
ket space
1 =D(1)
We postulate that D(1) has the same group properties as R.
1. Identity:
1 1 = 1 =D(1) D(0) = D(1)
2. Closure:
1
1
1
2
= 1
3
=D(1
1
) D(1
2
) = D(1
3
)
3. Inverse:
11
1
= 1 =D(1) D(1
1
) = D(0) = 1
134
4. Associativity:
1
1
(1
2
1
3
) = (1
1
1
2
)1
3
D(1
1
) D(1
2
1
3
) = D(1
1
1
2
) D(1
3
)
As
1
a
()1
j
() 1
j
()1
:
() = 1
:
(
2
) 1
we examine
D
a
()D
j
() D
j
()D
a
() = D
:
(
2
) 1
= (1 i
J
a
~

J
2
a
2
2~
2
)(1 i
J
j
~

J
2
j
2
2~
2
)
(1 i
J
j
~

J
2
j
2
2~
2
)(1 i
J
a
~

J
2
a
2
2~
2
)
= [J
a
. J
j
]
2
,~
2
= D
:
(
2
) 1
D
:
(
2
) = 1 i
J
:
~

2
= [J
a
. J
j
] = i~J
:
Similarly, we obtain
[J
i
. J
)
] = i~c
i)I
J
I
135
or
J J = i~J
Comparing with a conventional vector v
v v = 0.
B 3.1.2 Orbital angular momentum
If the vector

c is of innitesimal length and only quantities of rst order in

c are
retained, the relation \
1
= 1\ may be written
\
1
= \ +
c

\
where
1 =
1 c
:
c
j
c
:
1 c
a
c
j
c
a
1
136
To derive the formula we have used the innitesimal rotation, for example,
1
:
(c) =
cos c
:
sin c
:
0
sin c
:
cos c
:
0
0 0 1
= 1 +
0 c
:
0
c
:
0 0
0 0 0
and the innitesimal rotations about any axis are commutable.

Now we wish to nd a transformation |ci
1
that changes the ket |ci into the
ket |ci
1
|ci
1
= D(c) |ci
h: |ci = h: |ci
= h:| D
+
(c) |ci
1
= h: |ci
= h1: |ci
1
= h: |ci
= h: |ci
1
=
1
1
: |c
137
Thus we have
D(
c),
c
(:) = ,
c
(1
1
:)
,
c
(: c :)
,
c
(:) (c :) 5,
c
(:)
= D(
c) = 1
i
~
1 c +
where
L = r P
1
a
= 1
:
.1
j
(= i~(
J
J.
.
J
J
))
1
j
= .1
a
r1
:
(= i~(.
J
Jr
r
J
J.
))
1
:
= r1
j
1
a
(= i~(r
J
J

J
Jr
))
These operators satisfy
[1
i
. 1
)
] = i~c
i)I
1
I
B 3.1.3 Rotation operator for spin 1/2
We have already checked that
[o
i
. o
)
] = i~c
i)I
o
I
.
138
Consider a rotation by a nite angle c about the z-axis. If the ket of a spin 1/2 system
before rotation is given by |ci . the ket after rotation is given by
|ci
1
= D
:
(c) |ci
with
D
:
(c) = c
i
S:
~

To see the physical meaning of D
:
(c), we compute
D
+
:
(c)o
a
D
:
(c)
= c
i
S:
~

o
a
c
i
S:
~

= c
i
S:
~

~
2
(|+i h| +|i h+|) c
i
S:
~

=
~
2
c
i
2
|+i h| c
i
2
+c
i
2
|i h+| c
i
=
~
2
[(|+i h| +|i h+|) cos c +i (|+i h| |i h+|) sinc]
= o
a
cos c o
j
sin c
D
:
(c)
o
a
o
j
o
:
D
:
(c) =
o
a
cos c o
j
sinc
o
a
sinc +o
j
cos c
o
:
cos c sin c 0
sinc cos c 0
0 0 1
o
a
o
j
o
:
139
Compare with
\
1
= 1\.
B 3.1.4 Spin precession revisited
The Hamiltonian is
H =
c
:c
S B
= .S
:
where . = |c| 1,:c. The time evolution operator is given by
l(t) = exp [iHt,~] = exp[io
:
.t,2] .
For an arbitrary state |ci, at a later time t
|c. ti = l(t) |ci
= l(t)(|+i h+| +|i h|) |ci
= c
i.t2
|+i h+|ci +c
+i.t2
|i h|ci
The operators change as
hS
a
i
t
= hS
a
i
t=0
cos .t hS
j
i
t=0
sin .t
hS
j
i
t
= hS
j
i
t=0
cos .t +hS
a
i
t=0
sin .t
hS
:
i
t
= hS
:
i
t=0
140
Conclusion: the period for the state ket is twice as long as the period for spin precession:
t
precession
= 2:,.;
t
state ket
= 4:,..
A 3.2 Rotation Group and the Euler Angles
B 3.2.1 The Group Concept
The branch of mathematics that is appropriate for a full treatment of symmetry is the
theory of groups. Here we give a few basic denitions: A set of objects c, /, c,... form
a group if a process can be dened that enables us to combine any two of the objects,
such as c and /, to form an object c/, and if the following conditions are satised:
1. All results of combination, such as c/, are members of the group.
2. The group contains an identity or unit member c that has the properties cc =
cc = c, where c is any member of the group.
3. Each member c has an inverse c
1
also in the group, such that cc
1
= c
1
c = c.
4. Group combination is associative, so that
c(/c) = (c/)c
141
The members of the group are called elements. Though we frequently refer to
the combination as multiplication, this does not mean ordinary multiplication. For
example, the set of integers, positive, negative, and zero, form a group if the law of
combination is ordinary addition.
A group is abelian if multiplication is commutative, so that c/ = /c for all
pair of elements. Otherwise the group is non-abelian.
Two groups are said to be isomorphic to each other if there is a unique one-
to-one correspondence between elements of the two groups such that products of cor-
responding elements correspond to each other.
Examples:
(1). The elements are 1 and 1 and the law of combination is multiplication.
(2). {c. c. c
2
. .... c
.
= c}: c is the root of r
.
= 1.
B 3.2.2 Orthogonal Group
We discussed rotations of a vector. The rotated vector and unrotated vector are con-
nected by a 3 3 real and orthogonal matrix
\
1
= 1\
All rotation matrices form a group.
1. Combination of two 1
1
and 1
2
is a new matrix 1
1
1
2
142
2. Identity: 1 = 1
3. The inverse matrix: 1
T
= 1
1
and 1
T
1 = 11
T
= 1
4. Associativity:(1
1
1
2
)1
3
= 1
1
(1
2
1
3
)
This group is named SO(3), where S stands for special, O stands for orthog-
onal, 3 for three dimension. If the vector is n-dimensional, the R form a SO(n) group.
B 3.2.3 Special?
Consider
1
:
(c) =
cos c sin c 0
sinc cos c 0
0 0 1
Its determinant is
det(1
:
(c)) = 1
In fact,
det(1) = 1 =o
1 is not one of elements in SO(N). We postulate that D(1) has the same group
properties of R. The determinant of D(1) is
det[D(1)] = det
exp[i
J n
~
c]
= exp
det(i
J n
~
c)
= 1
143
since
det[J
I
] = 0.
B 3.2.4 Unitary Unimodular Group
Another rotation we discussed is for the spin 1/2 system, where the rotation matrices
are 2 2. We can write a unitary unimodular matrix as
n(c. /) =
c /
/
where a and b are complex satisfying |c|

2
+|/|
2
= 1. All these matrices form a group.
(1) Closure:
n(c
1
. /
1
)n(c
2
. /
2
) = n(c
1
c
2
/
1
/
2
. c
1
/
2
+c
2
/
1
)
where
|c
1
c
2
/
1
/
2
|
2
+|c
1
/
2
+c
2
/
1
|
2
= 1
(2) Identity:
n(1. 0) =
1 0
0 1
(3) Inverse:
n
(c. /)n(c. /) = 1
(4) Associative: multiplication of matrices is associative.
144
If we set
Re(c) = cos
c
2
Re(/) = :
j
sin
c
2
Im(c) = :
:
sin
c
2
Im(/) = :
a
sin
c
2
the n(c. /) can be rewritten as
n(c. /) =c
i
n
2

As det[n(c. /)] = 1, this group is called SU(2) group. SU(2) and SO(3) have a two-to-one
correspondence: In SU(2). a rotation by 2: produces 1. a rotation by 4: produces 1.
In SO(3) , a rotation 2: produces 1. More generally, l(c. /) and l(c. /) correspond
to one matrix in R (in SO(3)).
B 3.2.5 Euler Rotations
To describe a rotation, usually we need three parameters: two parameters for the
rotation axis and one parameter for the rotation angle. In classical mechanics, an
arbitrary rotation of a rigid body can be accomplished in three steps, known as Euler
rotations.
145
Figure 3.2: Euler rotations.
146
Three steps:
(a) : R
:
(c) y y
0
(b) : R
j
0 (,) z z
0
(c) : R
:
0 () y y
00
In terms of 33 orthogonal matrices the product of the three operations can be written
as
1(c. ,. ) 1
:
0 ()1
j
0 (,)1
:
(c)
There appear both rotations about body axes and about the space-xed axes. This
is rather inconvenient! It is desirable to express the body-axis rotations in terms of
space-xed axis rotation. Fortunately, we have
1
j
0 (,) = 1
:
(c)1
j
(,)1
1
:
(c)
The meaning of the combinations is as follows: First bring the body y-axis (the y-
axis) back to the original xed space y-direction by rotating clockwise ( as seen from
the positive z side) about the z axis by a angle c; then rotate about the y-axis by ,.
Finally, return the body y axis to the direction of the y axis by rotating about the
z-axis by angle c.
Similarly,
147
1
:
0 () = 1
j
0 (,)1
:
()1
1
j
0
(,)
Therefore,
1(c. ,. ) = 1
:
(c)1
j
(,)1
:
()
As an example we calculate D(c. ,. ) for a spin 1/2 system.
1(c. ,. ) = 1
:
(c)1
j
(,)1
:
()
= c
i
3
2
c
c
i
2
2
o
c
i
3
2

Recall that
exp(i
o :
2
c) = cos
c
2
io :sin
c
2
To prove the identity we use the (o :)
2
= 1.
1(c. ,. ) =
cos
c
2
i sin
c
2
0
0 cos
c
2
+i sin
c
2
cos
o
2
sin
o
2
sin
o
2
cos
o
2
cos

2
i sin

2
0
0 cos

2
+i sin

2
c
i
o+
2
cos
o
2
c
i
o
2
sin
o
2
c
i
o
2
sin
o
2
c
i
o+
2
cos
o
2
148
A 3.3 Eigenvalues and Eigenkets of Angular Momen-
tum
The commutation relation between three components of J are already derived:
[J
a
. J
j
] = i~J
:
[J
j
. J
:
] = i~J
a
[J
:
. J
a
] = i~J
j
These relation are often rewritten in a more compact form
J J = i~J
In this section we work out the eigenvalues and eigenkets of angular momentum. To
this end, we introduce a new set of operators:
(1). J
2
= J
a
J
a
+J
j
J
j
+J
:
J
:
(2). J
= J
a
iJ
j
, J
+
= (J
J
2
commutes with all three J
I
(/ = r. . .)
[J
2
. J
I
] = 0
As J
a
. J
j
and J
:
do not commute, we cannot diagonalize J
a
. J
j
and J
:
simultaneously.
However we can choose one J
I
to be diagonalized with J
2
. By convention, we choose
149
J
:
. We denote the eigenvalues of J
2
and J
:
by c and /, respectively
J
2
|c. /i = c |c. /i
J
:
|c. /i = / |c. /i
To determine the values of c and /, it is convenient to work with the ladder operator,
J
.
[J
:
. J
a
] = i~J
j
[J
:
. J
j
] = i~J
a
[J
:
. iJ
j
] = ~J
a
[J
:
. J
a
iJ
j
] = ~(J
a
iJ
j
)
The commutation relations become
[J
:
. J
] = ~J
[J
+
. J
] = 2~J
:
[J
. J
2
] = 0
First of all, we have
c
0
. /
0
J
2
c. /
= co
oo
0 o
bb
0 ;
hc
0
. /
0
|J
:
| c. /i = /o
oo
0 o
bb
0
150
Then
J
:
J
|c. /i = {[J
:
. J
] +J
J
:
} |c. /i
= (~J
+/J
) |c. /i
= (/ ~)J
|c. /i
From this relation, we conclude
J
|c. /i = C
(c. /) |c. / ~i .
Note that the bra of J
|c. /i are
hc. /| (J
= hc. /| J
= hc. / ~| C
(c. /)
hc. /| J
|c. /i = |C
(c. /)|
2
J
2
can be expressed in terms of J
and J
:
J
2
=
1
2
(J
+
J
+J
J
+
) +J
2
:
= J
J
+
+J
2
:
+J
:
~ = J
+
J
+J
2
:
J
:
~
c = |C
+
(c. /)|
2
+/(/ +~) = |C
(c. /)|
2
+/(/ ~)
|C
+
(c. /)|
2
= c /(/ +~) 0
|C
(c. /)|
2
= c /(/ ~) 0
151
If |c. /i is one of eigenkets, then
J
|c. /i = C
(c. /) |c. / ~i
If C
+
(c. /) or C
(c. /) is not equal to zero, |c. / ~i is also one of eigenkets. Suppose

that we keep on applying J
to both side of the equation above. We can obtain

numerical eigenkets with smaller and smaller or larger and larger / :~ until the
sequence terminates at some /
max
and /
min
such that
C
+
(c. /
max
) = 0
C
(c. /
min
) = 0
So
|C
+
(c. /
max
)|
2
= c /
max
(/
max
+~) = 0
|C
(c. /
min
)|
2
= c /
min
(/
min
~) = 0
c = /
max
(/
max
+~) = /
min
(/
min
~)
= /
max
= /
min
Clearly, we must be able to reach |c. /
max
i by applying J
+
successively to |c. /
min
i a
nite number of times. i.e.
|c. /
max
i (J
+
)
a
|c. /
min
i |c. /
min
+:~i
152
We obtain
/
max
= /
min
+:~
As a result,
/
max
=
:
2
~
and
c =
:
2
(
:
2
+ 1)~
2
It is conventional to dene
/
max
= /
min
=
:
2
~ = ,~
and
|c. /i =|,. :i
such that
J
2
|,. :i = ,(, + 1)~
2
|,. :i
J
:
|,. :i = :~|,. :i
with : = ,. , + 1. ...,.
Take C
(c. /) real, we have

J
+
|,. :i = [,(, + 1) :(:+ 1)]
12
~|,.:+ 1i ;
J
|,. :i = [,(, + 1) :(:1)]

12
~|,.:1i .
153
The eigenkets {|,. :i} form a basis for angular momentum operator
h,: |,
0
. :
0
i = o
))
0 o
nn
0 .
In the form of matrix, elements of J
h,
0
:
0
|J
| ,:i = ~[,(, + 1) :(:1)]

12
o
))
0 o
n
0
n1
.
As a result,
h,
0
:
0
|J
a
| ,:i =

,
0
:
0
J
+
+J
,:
=
~
2
[,(, + 1) :(:+ 1)]
12
o
))
0 o
n
0
n+1
+
~
2
[,(, + 1) :(:1)]
12
o
))
0 o
n
0
n1
h,
0
:
0
|J
j
| ,:i
=
~
2i
[,(, + 1) :(:+ 1)]
12
o
))
0 o
n
0
n+1
~
2i
[,(, + 1) :(:1)]
12
o
))
0 o
n
0
n1
h,:
0
|J
:
| ,:i = :~o
nn
0 ;
,:
0
J
2
,:
= ,(, + 1)~
2
o
nn
0
154
Our choice of a representation in which J
2
and J
:
are diagonal has led to discrete
sequences of values for the corresponding labels j and m. The innite matrices thus
obtained are most conveniently handled by breaking them up into an innite set of
nite matrices, each of which is characterized by a particular value of , and has 2, +1
rows and columns.
(1) , = 1,2: : = 1,2
J
a
=
~
2
0 1
1 0
J
j
=
~
2
0 i
i 0
J
:
=
~
2
1 0
0 1
J
2
=
3
4
~
2
1 0
0 1
(2) , = 1. : = 1. 0
J
a
=
~
2
12
0 1 0
1 0 1
0 1 0
J
j
=
~
2
12
0 i 0
i 0 i
0 i 0
J
:
= ~
1 0 0
0 0 0
0 0 1
J
2
= 2~
2
1 0 0
0 1 0
0 0 1
155
(3) , =
3
2
. : =
3
2
.
1
2
J
a
=
~
2
0 3
12
0 0
3
12
0 2 0
0 2 0 3
12
0 0 3
12
0
J
j
=
~
2
0 i3
12
0 0
i3
12
0 2i 0
0 2i 0 i3
12
0 0 i3
12
0
J
:
=
~
2
3 0 0 0
0 1 0 0
0 0 1 0
0 0 0 3
J
2
=
15
4
~
2
1 0 0 0
0 1 0 0
0 0 1 0
0 0 0 1
156
B 3.3.1 Representation of Rotation Operator
Have obtained the matrix elements of J
:
and J
, we are now in position to study the

matrix elements of rotation operator D(
1)
D
())
nn
0
(1) =
,:
0
c
iJ a~
,:
Since [J
2
. J
I
] = 0. we have
[D(1). J
2
] = 0
So D(1) |,. :i is still an eigenket of J
2
with the same eigenvalue ,(, + 1)~
2
J
2
D(1) |,:i = ,(, + 1)~
2
D(1) |,:i
We just consider the matrix elements of D(1) with the same ,. For every , there are
2, + 1 values of m. D(1) should be a (2, + 1) (2, + 1) square matrix. For a rotated
ket
1(1) |,:i =
X
n
0
|,:
0
i h,:
0
|1(1)| ,:i =
X
n
0
1
())
nn
0
(1) |,:
0
i
As is well known, the Euler angles may be used to characterize the most general rotation.
We have
1
())
nn
0
(c. ,. ) =
D
,:
0
c
i
:
~
c
c
i
~
o
c
i
:
~

,:
E
= c
i(n
0
cn)
D
,:
0
c
i
~
o
,:
E
157
For , = 1,2
J
j
=
~
2
0 i
i 0
nD
,:
0
c
i
~
o
,:
Eo
=
cos
o
2
sin
o
2
sin
o
2
cos
o
2
= cos
,
2
o
0
i sin
,
2
o
j
To derive the matrix we can make use of the identity: (J
j
,})
2
= 1,4.
For , = 1,
J
j
=
~
2
12
0 i 0
i 0 i
0 i 0
{
D
,:
0
c
i
~
o
,:
E
} =
cos
2 o
2

1
2
12
sin , sin
2 o
2
1
2
12
sin, cos ,
1
2
12
sin ,
sin
2 o
2
1
2
12
sin, cos
2 o
2
To derive the matrix we can make use of the identity: (J

j
,})
3
= J
j
,}.
A 3.4 Schwinger Oscillator Model.
There exists a very interesting connection between the algebra of angular momentum
and the algebra of two independent simple harmonic oscillators. Let us consider two
158
types of oscillator: plus and minus type. The creation and annihilation operator are
denoted by c
and c
, respectively,
[c
+
. c
+
] = 1. [c
. c
] = 1
These two oscillators are uncoupled,
[c
+
. c
] = [c
. c
+
] = 0
Dene the number operators
`
+
= c
+
c
+
; `
= c
We have
[`
+
. c
+
] = c
+
; [`
. c
] = c
[`
+
. c
+
] = c
+
; [`
. c
] = c
Since [`
+
. `
] = 0 , we dene the simultaneous eigenket of `

+
and `
by |:
+
. :
i
such that
|:
+
. :
i =
(c
+
)
a
+
(:
+
!)
12
!
(c
)
a
(:
!)
12
!
|0. 0i
with
c
|0. 0i = 0
c
+
|:
+
. :
i = (:
+
+ 1)
12
|:
+
+ 1. :
i
c
|:
+
. :
i = (:
)
12
|:
+
. :
1i
159
We dene
J
+
~c
+
c
; J
~c
c
+
J
:

~
2
(c
+
c
+
c
) =
1
2~
[J
+
. J
] =
~
2
(`
+
`
)
We can prove that these operators satisfy the angular momentum relations
[J
:
. J
] = ~J
Dene the total number operator ` by

` = `
+
+`
.
we can prove
J
2
= J
2
:
+
1
2
(J
+
J
+J
J
+
)
=
~
2
4
(`
+
`
)
2
+
~
2
2
(c
+
c
c
+
+c
c
+
c
+
c
)
=
~
2
4
[`
2
+
+`
2
2`
+
`
+ 2`
+
(1 +`
) + 2`
(1 +`
+
)]
=
`
2
(
`
2
+ 1)~
2
.
160
Therefore, we have
J
2
|:
+
. :
i = ~
2
:
+
+:
2
(
:
+
+:
2
+ 1) |:
+
. :
i
J
+
|:
+
. :
i = ~c
+
c
|:
+
. :
i
= ~[(:
+
+ 1):
]
12
|:
+
+ 1. :
1i
J
|:
+
. :
i = ~[:
+
(:
+ 1)]
12
|:
+
1. :
+ 1i
J
:
|:
+
. :
i =
~
2
(:
+
:
) |:
+
. :
i
These expression can be reduced to the familiar forms for angular momentum provided
that
:
+
= , +:
:
= , :
|:
+
. :
i =|,. :i =
(c
+
)
)+n
[(, +:)!]
12
(c
)
)n
[(, :)!]
12
|0. 0i
So we can check
J
2
|,. :i = ,(, + 1)~
2
|,. :i
J
+
|,. :i = [,(, + 1) :(:1)]
12
~|,. :+ 1i
J
|,. :i = [,(, + 1) :(:1)]

12
~|,. :1i
J
:
|,. :i = :~|,. :i
161
B 3.4.1 Spin 1/2 system
We dene the spin 1/2 operators o
and o
:
in terms of the creation and annihilation
operators c
o
and c
o
(o =. ). For o = 1,2.
:
+:
= 2o = 1.
We have two eigenkets for o
:
|+i = c
|0i
|i = c
|0i
The operators are expressed as
o
+
= ~c
= ~c
o
:
=
~
2
(c
+
c
+
)
Since [c
. c
] = [c
. c
] = 1, we usually call c and c
the boson operators. In the case

of o = 1,2. c
2
o
= (c
o
)
2
= 0. So they are called hard-core bosons since no two bosons
can be occupied at the same site.
162
Please check whether the commutation relations still hold if
n
c
. c
o
= c
+c
= 1
n
c
. c
o
= 1.
n
c
. c
o
= 0.
i.e., c are fermionic operators.
Quantum statistics can be introduced by making use of commutation and
anticommutation relation of these operators.
B 3.4.2 Two-spin1/2 system
We now consider two-spin-1/2 system: o
1
and o
2
. For each o
i
(i = 1. 2). we have
|i+i = c
i
|0i
|ii = c
i
|0i
There are four possible congurations for combination of two spins
|1+. 2+i = |1+i |2+i = c
1
c
2
|0i
|1+. 2i = |1+i |2i = c
1
c
2
|0i
|1. 2+i = |1i |2+i = c
1
c
2
|0i
|1. 2i = |1i |2i = c
1
c
2
|0i
163
We are now in a position to construct eigenstates of the total spin
S = S
1
+S
2
and its .
component
S
:
= S
:
1
+S
:
2
.
We rst examine the two kets: |1+. 2+i and |1. 2i.
S
:
|1+. 2+i = (S
1:
+S
2:
) |1+. 2+i = ~|1+. 2+i
S
2
|1+. 2+i = 2~
2
|1+. 2+i
We denote
|: = 1. : = 1i = |1+. 2+i = c
1
c
2
|0i
Similarly,
|: = 1. : = 1i = |1. 2i = c
1
c
2
|0i
Recall that
J
|,. :i = [,(, + 1) :(:1)]

12
~|,. :1i
|: = 1. : = 0i =
1
2
12
~
S
|: = 1. : = 1i =
1
2
12
(c
1
c
2
+c
1
c
2
) |0i
We have obtained three eigenkets for o
2
and o
:
. There should exist another eigenket
since there are four possible congurations for two spins. The fourth eigenket must be
a combination of |1+. 2i and |1. 2+i
|ci = c |1+. 2i +/ |1. 2+i
164
It is easy to check
o
:
|ci = 0
We make use of property of orthogonality of eigenkets
h: = 1. : = 0 |ci = 0
From this equation, we obtain
c = / =c = / =
1
2
12
Furthermore,
S
2
|ci = 0 =|ci = |: = 0. : = 0i =
1
2
12
(c
1
c
2
c
1
c
2
) |0i
In summary,
|: = 1. : = 1i = c
1
c
2
|0i
|: = 1. : = 0i =
1
2
12
(c
1
c
2
+c
1
c
2
) |0i
|: = 1. : = 1i = c
1
c
2
|0i
|: = 0. : = 0i =
1
2
12
(c
1
c
2
c
1
c
2
) |0i
165
B 3.4.3 Explicit Formula for Rotation Matrices.
Schwingers scheme can be used to derive in a very simple way, a closed formula for
rotation matrices. We apply the rotation operator D(1) to |,:i. In the Euler angle
rotation the only non-trivial rotation in the second one about y- axis. So
D(1) = D(c. ,. )
c==0
= c
iJo~
Applying D(1) on |,. :i, we have
D(1) |,:i
= D(1)
(c
+
)
)+n
[(, +:)!]
12
(c
)
)n
[(, :)!]
12
|0i
=
[1(1)c
+
1
1
(1)
]
)+n
[(, +:)!]
12
[1(1)c
1
1
(1)
]
)n
[(, :)!]
12
D(1) |0i
J
j
=
1
2i
(J
+
J
) =
1
2i
(c
+
c
c
+
)
We have
J
j
|0i = 0
and
D(1) |0i = |0i
We come to calculate
,
(,) = D(1)c
D
1
(1) = c
i
~
o
c
c
+i
~
o
166
d
d,
,
+
(,) = i
1
~
c
i
~
o
[J
j
. c
+
+
]c
i
~
o
=
1
2
c
i
~
o
c
c
i
~
o
=
1
2
,
(,)
Similarly
d
d,
,
(,) =
1
2
,
+
(,)
d
2
d,
2
,
(,) + (
1
2
)
2
,
(,) = 0
The solutions are
,
(,) = cos
,
2

C
1
+ sin
,
2

C
2
The boundary conditions are
,
(,)|
o=0
= c

C
1
= c
d
d,
,
(,)
o=0
=
1
2
,
(,)|
o=0
=

C
2
= c
We have
,
(,) = cos
,
2
c
sin
,
2
c
D(1)
+
c
D
1
(1) =
cos
o
2
sin
o
2
sin
o
2
cos
o
2
+
c
Recalling the binomial theorem,

(r +)
.
=
.
X
a=0
`!
:!(` :)!
r
a
.a
167
D(1) |,:i =
[cos
o
2
c
+
+ sin
o
2
c
]
)+n
[(, +:)!]
12

[cos
o
2
c
+
sin
o
2
c
+
+
]
)n
[(, :)!]
12
|0i
=
X
n
0
d
())
n
0
n
(,) |,:
0
i
d
())
n
0
n
=
X
I
(1)
In+n
0 [(, +:)!(, :)!(, +:
0
)!(, :
0
)!]
12
(, +:/)!/!(, / :
0
)!(/ :+:
0
)
(cos
,
2
)
2)2I+nn
0
(sin
,
2
)
2In+n
0
Notice that d
())
n
0
n
(,) = h,:
0
| D(1) |,:i .
A 3.5 Combination of Angular Momentumand Clebsh-
Gordan Coecients
One of the important problems in quantum theory is the combination of the angular
momenta associated with two parts of a system (such as the spin and orbital angular
momenta of one electron) to form the angular momentum of the whole system. The
addition of two vectors
1
and
2
forms a triangle. The third vector =
1
+
2
. The
maximal value of is
1
+
2
and the minimal value of is |
1
2
|. We start with two
commuting angular momentum operators J
1
and J
2
: all components of J
1
commute
with all components of J
2
. The orthonormal eigenkets of J
2
1
and J
1:
are |,
1
:
1
i and
J
2
has no eect on them. Similarly, |,
2
:
2
i are the eigenkets of J
2
2
and J
2:
. and J
1
has
168
no eect on them. Denote
|,
1
. ,
2
. :
1
. :
2
i = |,
1
. :
1
i |,
2
. :
2
i
we have
J
2
1
|,
1
. ,
2
. :
1
. :
2
i = ,
1
(,
1
+ 1)~
2
|,
1
. ,
2
. :
1
. :
2
i
J
1:
|,
1
. ,
2
. :
1
. :
2
i = :
1
~|,
1
. ,
2
. :
1
. :
2
i
J
2
2
|,
1
. ,
2
. :
1
. :
2
i = ,
2
(,
2
+ 1)~
2
|,
1
. ,
2
. :
1
. :
2
i
J
2
2:
|,
1
. ,
2
. :
1
. :
2
i = :
2
~|,
1
. ,
2
. :
1
. :
2
i .
The innitesimal rotation operator that aects both subspaces is written as
(1
1
i
J
1
:oc
~
) (1
2
i
J
2
:oc
~
) = 1
1
1
2
i
J
1
1
2
+J
2
1
1
~
:oc
where 1
1
and 1
2
are two identity matrices, respectively. So we dene the total angular
momentum
J = J
1
1
2
+1
1
J
2
J
1
+J
2
It is noted that
J J = i~J
Since J
2
. J
2
1
. J
2
2
and J
:
are compatible, we denote their simultaneous eigenkets by
|,
1
. ,
2
. ,. :i |,.:i
169
Recall that there are (2,
1
+1) eigenkets |,
1
:
1
i and (2,
2
+1) eigenkets |,
2
:
2
i . Therefore
there are (2,
1
+ 1) (2,
2
+ 1) kets
|,
1
. ,
2
. :
1
. :
2
i |,
1
. :
1
i |,
2
. :
2
i ( |:
1
. :
2
i)
These kets form a complete and orthogonal set of basis:
)
1
X
n
1
=)
1
)
2
X
n
2
=)
2
|:
1
. :
2
i h:
1
. :
2
| = 1
The connection between |,. :i and |:
1
. :
2
i is
|,:i =
X
n
1
n
2
|:
1
. :
2
i h:
1
. :
2
|,. :i
{h:
1
. :
2
|,. :i} are the Clebsh-Gordan coecients. Note that
(J
:
J
1:
J
2:
) |,. :i = 0
(::
1
:
2
) h:
1
. :
2
|,. :i = 0
It is apparent that h:
1
. :
2
|,. :i is zero unless : = :
1
+ :
2.
The largest value of :
is ,
1
+ ,
2
and this occurs only when :
1
= ,
1
and :
2
= ,
2
. Therefore the largest , is
,
1
+,
2
, and that there is only such a state
|,
1
+,
2
. ,
1
+,
2
i = |,
1
. ,
2
i
|, = ,
1
+,
2
. : = ,
1
+,
2
i = |:
1
= ,
1
. :
2
= ,
2
i
The next largest value of : is ,
1
+,
2
1 and this occurs twice: when (1) :
1
= ,
1
and
:
2
= ,
2
1. and (2) :
1
= ,
1
1 and :
2
= ,
2
. One of the two linear independent
170
combination of these two states (: = ,
1
+ ,
2
1) must be associated with the new
state with , = ,
1
+,
2
and : = ,
1
+,
2
1. Since for each , value there must be values
of : ranging from ,
1
+ ,
2
to ,
1
,
2
. The other combination is associated with , =
,
1
+,
2
1. By an extension of this argument we can see that each , value, ranging from
,
1
+,
2
to |,
1
,
2
| by integer steps, appears just once. Each , value is associated with
2, + 1 combinations of the original kets
)
1
+)
2
X
)=|)
1
)
2
|
(2, + 1) = (2,
1
+ 1)(2,
2
+ 1)
which is equal to the number of |:
1
. :
2
i as expected.
B 3.5.1 Clebsch-Gordan coecients
The Clebsch-Gordan coecients form a unitary matrix. Furthermore the matrix ele-
ments are taken to be real by convention. An immediate consequence is h,. :|:
1
. :
2
i =
h:
1
. :
2
|,. :i . The orthogonality conditions of the matrix are
(1). h:
1
. :
2
|:
0
1
. :
0
2
i = o
n
1
n
0
1
o
n
2
n
0
2
X
).n
h:
1
. :
2
|,. :i h,. :|:
0
1
. :
0
2
i = o
n
1
n
0
1
o
n
2
n
0
2
(2). h,. :|,
0
. :
0
i = o
))
0 o
nn
0
)
1
P
n
1
=)
1
)
2
P
n
2
=)
2
h,. :|:
1
. :
2
i h:
1
. :
2
|,
0
. :
0
i = o
))
0 o
nn
0
(3). h,. :|:
1
. :
2
i 6= 0 only if : = :
1
+:
2
171
Recursion Relations
We apply J
to the left side of Eq.

|,. :i =
)
2
X
n
0
1
=)
1
)
2
X
n
0
2
=)
2
|:
0
1
. :
0
2
i h:
0
1
. :
0
2
|,. :i
J
+
|,:i =
)
2
X
n
0
1
=)
1
)
2
X
n
0
2
=)
2
(J
1+
+J
2+
) |:
0
1
. :
0
2
i h:
0
1
. :
0
2
|,. :i
[,(, + 1) :(:+ 1)]
12
|,. :+ 1i
=
P
[,
1
(,
1
+ 1) :
0
1
(:
0
1
+ 1)]
12
|:
0
1
+ 1. :
0
2
i h:
0
1
. :
0
2
|,. :i
+
P
[,
2
(,
2
+ 1) :
2
(:
2
+ 1)]
12
|:
0
1
. :
0
2
+ 1i h:
0
1
. :
0
2
|,. :i
Multiplying h:
1
. :
2
| from the left side
[,(, + 1) :(:+ 1)]
12
h:
1
. :
2
|,. :+ 1i
= [,
1
(,
1
+ 1) :
1
(:
1
+ 1)]
12
h:
1
1. :
2
|,. :i
+[,
2
(,
2
+ 1) :
2
(:
2
+ 1)]
12
h:
1
. :
2
1|,. :i
Similarly,
[,(, + 1) :(:1)]
12
h:
1
. :
2
|,. :1i
= [,
1
(,
1
+ 1) :
1
(:
1
1)]
12
h:
1
+ 1. :
2
|,. :i
+[,
2
(,
2
+ 1) :
2
(:
2
+ 1)]
12
h:
1
. :
2
+ 1|,. :i
172
Construction Procedure
Combination of the two recursion relations and the orthogonality conditions
can leads to all Clebsch-Gordan coecients . We start with the sector with the largest
value of m :
(1) : = ,
1
+,
2
. , = ,
1
+,
2
h:
1
= ,
1
. :
2
= ,
2
|, = ,
1
+,
2
. : = ,
1
+,
2
i = 1
(2) : = ,
1
+,
2
1
(a) :
1
= ,
1
. :
2
= ,
2
1
(b) :
1
= ,
1
1. :
2
= ,
2
, = ,
1
+,
2
, = ,
1
+,
2
1
| ,
1
+,
2
. ,
1
+,
2
i = |,
1
. ,
2
i
[(,
1
+,
2
)(,
1
+,
2
+ 1) ((,
1
+,
2
)(,
1
+,
2
1)]
12
|,
1
+,
2
. ,
1
+,
2
1i
= [,
1
(,
1
+ 1) ,
1
(,
1
1)]
12
|,
1
1. ,
2
i + [,
2
(,
2
+ 1) ,
2
(,
2
1)]
12
|,
1
. ,
2
1i
173
h,
1
1. ,
2
|,
1
+,
2
, ,
1
+,
2
1i =

,
1
,
1
+,
2
12
h,
1
. ,
2
1|,
1
+,
2
, ,
1
+,
2
1i =

,
2
,
1
+,
2
12
h:
1
. :
2
|,
1
+,
2
1. ,
1
+,
2
1i
These two coecients are determined by the orthogonality conditions h,. , 1|, 1. , 1i =
0
h,
1
+,
2
. ,
1
+,
2
1|,
1
. ,
2
1i h,
1
,
2
1|,
1
+,
2
1. ,
1
+,
2
1i
+h,
1
+,
2
. ,
1
+,
2
1|,
1
1,,
2
i h,
1
1 ,
2
|,
1
+,
2
1. ,
1
+,
2
1i
= 0
,
2
,
1
+,
2
12
h,
1
. ,
2
1|,
1
+,
2
1. ,
1
+,
2
1i
+
,
1
,
1
+,
2
12
h,
1
1,,
2
|,
1
+,
2
1. ,
1
+,
2
1i = 0
r =

,
1
,
1
+,
2
12
=

,
2
,
1
+,
2
12
h,
1
+,
2
1. ,
1
+,
2
1|,
1
+,
2
1. ,
1
+,
2
1i = 1
r
2
+
2
= 1
174
h,
1
,
2
1|,
1
+,
2
1. ,
1
+,
2
1i = +
)
1
)
1
+)
2
12
h,
1
1 ,
2
|,
1
+,
2
1. ,
1
+,
2
1i =
)
2
)
1
+)
2
12
The convention here is that the rst matrix element, which has the formh,
1
. , ,
1
|,. ,i,
is real and positive.
(3) : = ,
1
+,
2
2
(a) :
1
= ,
1
:
2
= ,
2
2
(b) :
1
= ,
1
1 :
2
= ,
2
1
(c) :
1
= ,
1
2 :
2
= ,
2
, = ,
1
+,
2
, = ,
1
+,
2
1
, = ,
1
+,
2
2
h:
1
. :
2
|,
1
+,
2
. : i and h:
1
. :
2
|,
1
+,
2
1. : i are determined by the recursion re-
lations and the coecients in (2). The coecients h:
1
. :
2
|,
1
+,
2
2. : i are deter-
mined by the orthogonality conditions.
In this construction procedure, the only dicult part is the use of orthogonally,
which becomes progressively more complicated as the rank of the submatrix increases.
However it needs be employed only once for each submatrix, and it is easier to work
175
out an example with particular numerical values for ,
1
and ,
2
than the general case
just considered.
(a) J
|,
1
+,
2
. ,
1
+,
2
1i
h,
1
,
2
2|,
1
+,
2
. ,
1
+,
2
2i =
,
2
(2,
2
1)
(,
1
+,
2
)(2,
1
+ 2,
2
1)
1
2
h,
1
1,
2
1|,
1
+,
2
. ,
1
+,
2
2i =
4,
1
,
2
(,
1
+,
2
)(2,
1
+ 2,
2
1)
1
2
h,
1
2,
2
|,
1
+,
2
. ,
1
+,
2
2i =
,
1
(2,
1
1)
(,
1
+,
2
)(2,
1
+ 2,
2
1)
1
2
(b) J
|,
1
+,
2
1. ,
1
+,
2
1i
h,
1
,
2
2|,
1
+,
2
1. ,
1
+,
2
2i =

,
1
(2,
2
1)
(,
1
+,
2
)(,
1
+,
2
1)
1
2
h,
1
1,
2
1|,
1
+,
2
1. ,
1
+,
2
2i =
,
1
,
2
[(,
1
+,
2
)(,
1
+,
2
1)]
1
2
h,
1
2,
2
|,
1
+,
2
1. ,
1
+,
2
2i =
,
2
(2,
1
1)
(,
1
+,
2
)(,
1
+,
2
1)
1
2
Example, J = 1 +o (| = 1 and : = 1,2)
1). , = 1 + 1,2 = 3,2:
|, = 3,2. : = 3,2i = || = 1. :
|
= 1i |: = 1,2. :
c
= 1,2i
J
|, = 3,2. : = 3,2i = (L
+S
) || = 1. :
|
= 1i |: = 1,2. :
c
= 1,2i
176
(
3
2

5
2

3
2

1
2
)
12
|, = 3,2. : = 1,2i
= (1 2 1 0)
12
|| = 1. :
|
= 0i |: = 1,2. :
c
= 1,2i
+(
1
2

3
2

1
2
(
1
2
))
12
|| = 1. :
|
= 1i |: = 1,2. :
c
= 1,2i
|, = 3,2. : = 1,2i
= (
2
3
)
12
|| = 1. :
|
= 0i |: = 1,2. :
c
= 1,2i
+(
1
3
)
12
|| = 1. :
|
= 1i |: = 1,2. :
c
= 1,2i
|, = 3,2. : = 1,2i
= (
2
3
)
12
|| = 1. :
|
= 0i |: = 1,2. :
c
= 1,2i
+(
1
3
)
12
|| = 1. :
|
= 1i |: = 1,2. :
c
= 1,2i
|, = 3,2. : = 3,2i = || = 1. :
|
= 1i |: = 1,2. :
c
= 1,2i
2). , = 1 1,2 = 1,2 :
177
|, = 1,2. : = 1,2i
= c|| = 1. :
|
= 0i |: = 1,2. :
c
= 1,2i
+, || = 1. :
|
= 1i |: = 1,2. :
c
= 1,2i
|, = 1,2. : = 1,2i
= || = 1. :
|
= 0i |: = 1,2. :
c
= 1,2i
+o || = 1. :
|
= 1i |: = 1,2. :
c
= 1,2i
A 3.6 Spin Correlation Measurements and Bells In-
equality
QUIZ: Consider two spin-1/2 particles, which forms a spin singlet, i.e., with a total
spin of zero. Assume the two particles are moving away in two opposite directions, and
can be detected by two spin analyzers located at A and B.
1. Denote the spin states, |.. i for each spin. Write down the spin singlet
states for the two particles.
178
2. What the probability to measure a particle with spin-up along z-direction
at A? What the probability to measure a particle with spin-up along z-direction at B?
3. If we measured the spin-up state |.. +i of the particle A, what is the
probability to measure a spin state |c. oi of the particle at B?
a. |c. oi = |.. +i; b. |c. oi = |.. i
c. |c. oi = |r. +i; d. |c. oi = |.. i
179
Anybody who is not shocked by quantum theory has not understand it.
Niels Bohr
B 3.6.1 Spin singlet state
|o = 0i = (|.+; .i |.; .+i),
2
Suppose we make a measurement on one of spin component A then make
another measurement on B. If spin 1 is z-up. spin 2 must be z-down, and vice vrese.
Recall that
|ri =
1
2
(|.+i |.i)
|o = 0i = (|r+; ri |r; r+i),
2
If spin 1 is z-up, we measure spin 2 along x direction. What is the result?
50% x-up and 50% x-down.
To sum up:
If A measures S
:
. and B measures S
a
. there is a completely randaom correlation
between the two measurements.
If A measures S
a
. and B measures S
a
. there is a 100% (opposite sign) correlation
between the two measurements.
If A makes no measurement, Bs measurements show random results.
180
Spin component A As result Spin component B Bs result
. + .
. + r +
. + r
. . +
. r +
. r
r + r
r + . +
r + .
r r +
r . +
r .
The orthodox quantum mechanical interpretation:
A measurement is a selection process. When S
:
of particle 1 is measured to
be positive, then component |.+. .i is selected. A subsequent measurement of the
other particles S
:
merely ascertain that the system is still in |.+. .i. We must accept
that a measurement on what appears to be part of the system is to be regarded as a
measurement on the whole system.
181
B 3.6.2 Einsteins Locality Principle and Bells inequality
Many physicists have felt uncomfortable with the preceding interpretation of spin-
correlation measure. Their feelings reect in Einsteins locality principle: "But on one
supposition we should, in my oppinion, absolutely hold fast: The real factual situation
of the system S
2
is independent of what is done with the system S
1
, which is spatially
separated from the former.", which is also known as Einstein-Podolsky-Rosen paradox.
Consider a large number of spin-1/2 particles. We assign a certain fraction of
them to have the following property
If S
:
is measured, we obtain a plus sign with certainty.
If S
a
is measured, we obtain a minus sign with certainty.
A particle satisfying this property is said to belong to type (.+. r). Noting
that we are not asserting that we can simultaneously measyre S
:
and S
a
to be + and -.
For a spin-singlet state, the results of the correlation measurement can be
reproduced if the particle 1 and 2 are matched as follows
Particle 1 Particle 2
(.+. r) (.. r+)
(.+. r+) (.. r)
(.. r+) (.+. r)
(.. r) (.+. r+)
182
with equal populations, that is 25% each. Suppose a particular pair belong to type
(.+. r) and observer A decides to measure S
:
of particle 1; then he or she neces-
sarily obtains a plus sign regardless of whether B decides to measure S
:
or S
a
. In
this sense that Einsteins locality principle is incorportaed in this model: As results is
predetermined independently of Bs choice as to what to measure.
More complicated situations: we start with three unit vectors a, b, and c
Population Particle 1 Particle 2
`
1
(c+. /+. c+) (c. /. c. )
`
2
(c+. /+. c) (c. /. c+)
`
3
(c+. /. c+) (c. /+. c)
`
4
(c+. /. c) (c. /+. c+)
`
5
(c. /+. c+) (c+. /. c+)
`
6
(c. /+. c) (c+. /. c+)
`
7
(c. /. c+) (c+. /+. c)
`
8
(c. /. c) (c+. /+. c+)
(1: a+, 2: b+): `
3
+`
4
(1: a+, 2: c+): `
2
+`
4
(1: c+, 2: b+): `
3
+`
7
1(c+; /+) 1(c+; c+) +1(c+; /+)
183
This is Bells inequality, which follows from Einsteins locality principle.
B 3.6.3 Quantum Mechanics and Bells Inequality
In quantum mechanics, assume o
ob
the angle between a and b.
1(c+; /+) =
1
2
sin
2
o
ob
2
where the factor 1/2 arises from the probability of initially obtaining S
1
a. From Bells
equality,
sin
2
o
ob
2
sin
2
o
oc
2
+ sin
2
o
cb
2
.
If we take o
ob
= 2o
oc
= 2o
cb
= 2o, the inequality is then violated for
0 < o < :,2.
sin
2
o 2 sin
2
o
2
cos
2
o
2

1
2
Nature has had the last laugh on EPR. Nearly thirty years after the EPR
paper was published, an experimental test was proposed that could be used to check
whether or not the picture of the world which EPR were hoping to force a return to
is valid or not. It turns out that Nature experimentally invalidates that point of view,
while agreeing with quantum mechanics.
184
A 3.7 PROBLEM
1. Find the eigenvalues and eigenvectors of o
j
=
0 i
i 0
. Suppose an electron
is in the spin state
c
,
. If o
j
is measured, what is the probability of the result
~,2?
2. Let n be a unit vector in a direction specied by the polar angles (o. c). Show
that the component of the angular momentum in the direction n is
L
a
= sin o cos cL
a
+ sin o sin cL
j
+ cos oL
:
=
1
2
sino
c
i
L
+
+c
i
L
+ cos L
:
.
If the system is in simultaneously eigenstates of L
2
and L
:
belonging to the
eigenvalues |(| + 1)~
2
and :~. i.e., ||. :i .
(a) what are the possible results of a measurement of L
a
?
(b) what are the expectation values of L
a
and L
2
a
?
3. Obtain an explicit expression for
l
1
() = exp(in S,~)
in the form of a 2 2 matrix when S is the spin operator with o = 1,2. Let the
185
unit vector n have the polar angles o and c. Show explicitly that your matrix for
l
1
() is unitary and that it is equal to 1 when c = 2:.
4. Prove a sequence of Euler rotations represented by
1(1,2)(c. ,. )
= exp
i
c
2
o
3
exp
i
,
2
o
2
exp
2
o
3
c
i(c+)2
cos
o
2
c
i(c)2
sin
o
2
c
i(c)2
sin
o
2
c
i(c+)2
cos
o
2
.
Because of the group properties of rotations, we expect that this sequence of
operations is equivalent to a single rotation about some axis by an angle c. Find
c.
5. Calculate the matrix of Clebsch-Gordan coecients in the case of ,
1
= 1,2 and
,
2
= 1,2. According to the matrix, write explicitly the eigenstates of the total
angular momentum and its z component in terms of (,
1
. :
1
) and (,
2
. :
2
).
6. Use the raising or lowering operator to nd the following Clebsch-Gordan coe-
cients
3
2
.
1
2
= c |1. 1i
1
2
.
1
2
+/ |1. 0i
1
2
.
1
2
.
186
CN Chapter 4
CT Symmetries in Physics
Symmetry is a fundamental attribute of the natural world that enables an investigator
to study particular aspects of physical systems by themselves. For example, the as-
sumption that space is homogeneous, or possesses translational symmetry, leads to the
conclusion that the linear momentum of a closed isolated system does not change as the
system moves. This makes it possible to study separately the motion of the center of
mass and the internal motion of the system. A systematic treatment of the symmetry
properties and the conservation law are useful in solving more complicated problems.
It provides a deeper insight into the structure of physics.
In this chapter we consider the geometrical symmetries that may be associated
with the displacements of a physical system in space and time, with its rotation and
inversion in space, and with the reversal of the sense of progression of time.
187
A 4.1 Symmetries and Conservation Laws
B 4.1.1 Symmetry in Classical Physics
An alternative way to describe a classical system is to introduce Lagrangian L:
d
dt
JL
J
i

JL
J
i
= 0
which is called the Lagrange equation. For a conservative system,
L = T V
where
V = V(
1
.
2
. ...
.
).
For example, the Lagrangian for a harmonic oscillator is
L =
1
2
: r
2
1
2
/r
2
.
From the Lagrange equation, we obtain
: r = /r.
This is the Newtonian equation of motion! When the potential is related to velocity or
generalized velocity, the Lagrangian is constructed in a dierent way. For instance, the
Lagrangian for a charged particle subjected to an electromagnetic eld
L = T c +

c
.
188
If the Lagrangian is unchanged under displacement in the general sense,
i

i
+o
i
i.e.,
JL
J
i
= 0.
from the Lagrange equation, it follows that
d1
i
dt
= 0
where that canonical momentum is dened as
1
i
=
JL
J
i
.
In other words, the canonical momentum is conserved, i.e. the law of conservation.
B 4.1.2 Symmetry in Quantum Mechanics
In quantum mechanics, we have learned to associate a unitary operator, say U, with an
operation like translation and rotation. It has become customary to call U a symmetry
operator regardless of whether the physical system itself possesses the symmetry to U.
When we say that a system possesses that symmetry to U, which implies that
l
Hl = H
189
For a continuous symmetry, we take an innitesmal displacement and expand the
operator,
l = 1
i
~
G
where G is the Hermitian generator of the symmetry operator. Thus,
[G. H] = 0.
By virtue of the Heisenberg equation of motion, we have
dG
dt
= 0.
Hence G is a constant of the motion. In the language of quantum mechanics, we say
that G and H can be diagonalized simultaneously. Suppose |qi an eigenstate of G.
Then, the state at a later time
|q. t
0
. ti = l(t. t
0
) |qi
is also an eigenstate of G.
G Proof.
G|q. t
0
. ti = Gl(t. t
0
) |qi
= l(t. t
0
)G|qi
= ql(t. t
0
) |qi .
190
B 4.1.3 Degeneracy
Suppose that
[H. l] = 0
for the symmetry operator l and |:i is an energy eigenket with eigenvalue 1
a
. Then,
l |:i is also an eigenket of H with the same energy eigenvalue.
G Proof.
Hl |:i = lH|:i = 1
a
l |:i .
Suppose |:i and l |:i represent two dierent kets. Then these two states with the
same energy are said to be degenerated.
Remark 3 The proof is very trivial, but the concept plays a far more important role
in quantum mechanics.
B 4.1.4 Symmetry and symmetry breaking
If |:i is non-degenerated, l |:i and |:i must represent the same physical state although
they can dier a trivial phase factor, i.e.,
l |:i = c
ic
|:i .
In the case, we say that the state |:i also possesses the symmetry. If
l |:i 6= c
ic
|:i .
191
we say that the symmetry is spontaneously broken in the state although the Hamil-
tonian possesses the symmetry. The spontaneous symmetry breaking occurs when the
state is degenerated. The spontaneous broken symmetry is one of the most impor-
tant concepts in modern physics, from elementary particle physics to condensed matter
physics.
In 1960 Nambu was the rst one to introduce the concept of spontaneous
symmetry breaking to elementary physics. To begin with he rst worked on supercon-
ductivity. Then he applied the concept to elementary particles, which becomes one of
the corner stones of the physics of elementary particles, the standard model. Nambu
was awarded Nobel prize in 2008..
EXP Example 1
for a hydrogen atom problem,
H =
1
2:
1
2
+\ (:).
The Hamiltonian is rotational invariant
[1(1). H] = 0.
One of eigenstates is denoted by |:. ,. :i with 1
a
. Then
1(1) |:. ,. :i =
X
n
0
1
())
nn
0
|:. ,. :
0
i
192
is also an eigenket of H with the same energy 1
a
. For each pair of
: and , there are 2, + 1 values of ::
: = ,. , + 1. ..... ,
Therefore |:. ,. :i should be at least (2, + 1)-fold degenerated.
EXP Example 2
Two-spin Problem
The Hamiltonian for two spins S
1
and S
2
is written as
H = JS
1
S
2
.
Denote the eigenstate for H by |o
tct
. ì
H|o
tct
. ì =
J
2
(S
1
+S
2
)
2
S
2
1
S
2
2
|o
tct
. ì
=
J
2
[o
tct
(o
tct
+ 1) 2:(: + 1)] |o
tct
. ì
The total spin can be
o
tct
= 2:. 2: 1. .... 0.
As the M can be taken to be
` = o
tct
. o
tct
+ 1. .... o
tct
.
193
and the eigenvalue of H is independent of M, so the state |o
tct
. ì
is (2o
tct
+ 1)-fold degenerated.
The ground state energy:
(1) Antiferromagnetic J 0, o
tct
= 0
1
j
= :(: + 1)J
(2) Ferromagnetic J < 0, o
tct
= 2:
1
j
= :
2
J
SU(2) symmetry: When the system is rotated the rotation
operator
l = c
i
(S
1
+S
2
)n
~

As
[H. S] = 0.
we have
l
Hl = H.
For the ground state
(1) J 0, o
tct
= 0
l |o = 0. ` = 0i = |o = 0. ` = 0i
The state also possesses the SU(2) symmetry.
194
(2)J < 0, o
tct
= 2:
l |o = 2:. ` = 0i 6= |o = 2:. ` = 0i
The ground state is (2o + 1)-fold degenerate. The symmetry is
spontaneously broken.
B 4.1.5 Summary: symmetries in physics
Space Translation : : +o: Momentum
Time evolution t t +ot Energy
Rotation : :
0
Angular Momentum
Space Inversion : : Parity
Time reversal t t Charge conjugate
Permutation (12) (21) Quantum Statistics
Gauge e
i0
Charge
C Space translation
l
v
()rl
v
() = r +
l
v
() = exp[i
P
~
]
l
v
()Hl
v
() = H
[P. H] = 0
195
C Time evolution
l
t
(t)tl
t
(t) = t +t
l
t
(t) = exp[i
H
~
t]
l
t
(t)Hl
t
(t) = H
|c(t)i = exp[iHt,~] |c(0)i
C Rotation
:
0
= 1:
|ci
1
= D(1) |ci
D(1) = exp
ic
J n
~
(1)HD(1) = H
[J. H] = 0
C Gauge Invariance
H = i~
J
Jt
This symmetry is related to the conservation of charge, i.e., the number of the par-
ticles. To sovle the Schrodinger equation, we nd that there is a degree of freedom to
add a trivial phase factor before the wave function. This originates from the symmetry.
196
A 4.2 Discrete Symmetries
In this section we consider two symmetry operators that can be considered to be discrete
B 4.2.1 Parity
Figure 4.1:
The parity operation, as applied to transformation on the coordinate system,
changes a right-handed (RH) system into a left-handed (LH) system. Let us denote the
parity operator , which satises
|ci |ci
r = r
{r. } = 0
= 1
= 1
=
1
=
197
The physical meaning is that under this operation
\ = (r. . .) \
0
= (r. . .)
\
0
= 1\
where
1 =
1 0 0
0 1 0
0 0 1
How does an eigenket of the position operator transform under parity?Assume

r|ri = r|ri
r|ri = r|ri = r|ri
r|ri = r|ri
r(|ri) = r(|ri)
Thus we conclude that
|ri = c
ic
|ri .
Applying the parity operation twice
2
r = ( r) = r
2
and
r
2
|ri =
2
r|ri = r
2
|ri
198
Thus
2
= 1.
Therefore its eigenvalue can be only +1 or 1.
Example: a simple harmonic oscillator
B 4.2.2 The Momentum Operator
Space translation followed by parity is equivalent to parity followed by translation in
the opposite direction:
T (dr) |ri = |r +dri
= `|r dri
= T (dr)`|ri
= T (dr)|ri
Since
T (dr) = 1 i
1
~
dr +....
it follows that
1 = 1
or
{. 1} = 0.
199
Example: a free particle
B 4.2.3 The Angular Momentum
Dene
L = r 1.
then
L = L.
For 3 3 matrices, we have
1
(jovitj)
1
(vctotica)
= 1
(v)
1
(j)
where
1
(j)
=
1 0 0
0 1 0
0 0 1
which implies that parity and rotation operation commute. Therefore

1(1) = 1(1).
1(1) = 1 iJ :,} +
200
J = J
o = o
1 = 1
Example: the hydrogen atom
B 4.2.4 Parity
Let us now look at the parity property of wave function whose state ket is |ci :
(r) = hr|ci .
Suppose |ci the eigenket of parity
|ci = `|ci . (` = 1)
Then
hr| |ci = `hr |ci
hr |ci = `hr |ci
(r) = `(r)
The wave function is also parity.
EXP Example 3
201
Solution for a square-well potential
~
2
2:
d
2
l(r)
dr
2
= 1l(r)
with |r| c. In the replacement r r,
~
2
2:
d
2
l(r)
dr
2
= 1l(r)
Thus if l(r) is one solution, l(r) must be also one solution. The
solutions are
l(r) = c
iIa}
where /
2
= 2:1,}
2
. We can construct
Odd Parity: l(r) l(r) = l
coo
(r)
Even Parity: l(r) +l(r) = l
cca
(r)
Thus the wave functions are sin/r,~ and cos /r,~. respec-
tively.
EXP Example 4
Simple harmonic oscillator: The basic Hamiltonian is
H =
j
2
2:
+
1
2
:.
2
r
2
.
We have
H = H
202
and
x = x
p = p
= c
c = c
The eigenkets are
|:i =
1
:!
a
|0i
The ground state wave function is
hr|0i =
1
:
12
r
0
exp
1
2
r
2
r
2
0
So
hr|0i = hr|0i
How about hr|:i?
hr||:i = (1)
a
hr|:i .
hr||:i = (1)
a
hr|:i
At r = 0, we have hr = 0|:i = 0 for odd :.
EXP Example 5
Double well potential
Let us now look at the parities of energy eigenstates.
203
Polar vector: vectors that are odd under parity such as x, p etc
Axial vector or pseudovectors that are even under parity such as J.
Pseudoscalar: scalars that are odd under parity S x.
Theorem 4 Suppose [H. ] = 0 and |:i is an eigenstate of H with eigenvalue 1
a
H|:i = 1
a
|:i
then (a) if |:i is nondegenerate, |:i is also a parity eigenket; (b) if |:i is degenerate,
|:i may not be a parity eigenket.
G Proof. We can construct two states
1
2
(1 ) |:i .
These two states are parity eigenstates with eigenvalues 1.
1
2
(1 ) |:i =
1
2
|:i
=
1
2
(1 ) |:i
where the identity
2
= 1 has been used. Furthermore the states
1
2
(1 ) |:i and |:i
must represent the same state otherwise there would be two states with the same energy.
This violating the condition of non-degeneracy.
B 4.2.5 Lattice Translation
204
FIGURE (a) Periodic potential in one-dimension with periodicity a. (b) The periodic
potential when the barrier height between two adjacent lattice sites becomes innite.
(from Sakurai, 1994)
Consider a periodic potential in one dimension:
\ (r c) = \ (r).
We introduce a translational operator t(c) such that
t
(c)rt(c) = r +c;
t
(c)\ (r)t(c) = \ (r +c).

Thus the Hamiltonian is invariant under the translation
t
(c)Ht(c) = H.
As t is unitary, we have
Ht = tH.
205
t and H commute with each other. So t can be diagonalized with H simultaneously. t
is unitary, but not hermitian. t
(c) 6= t(c). We expect the eigenvalue to be a complex

number of modulus 1.
Before we determine the energy eigenkets and eigenvalues of t. it is instructive
to see a special case of the periodic potential when the barrier height between the two
adjacent lattice sites is made to go to innite as shown in Figure. Denote |:i a state
ket in which the particle is localized at the :
tI
site. When t is applied to it
t(c) |:i = |: + 1i .
To construct an eigenket for t, we consider a linear combination
|oi =
+
X
a=
c
ia0
|:i .
This state is an eigenstate for t.
t(c) |oi =
+
X
a=
c
ia0
t(c) |:i =
+
X
a=
c
ia0
|: + 1i
= c
i0
+
X
a=
c
i(a+1)0
|: + 1i
t(c) |oi = c
i0
|oi
B 4.2.6 A more realistic example: a 1D system
Assume that the barrier potential is still very large, but nite. The overlap of two states
at nearest neighbor sites is very small, and all other overlaps can be ignored. That is
206
h:| H|:i = 1
0
h:| H|: 1i = t
and all other elements are equal to zero. That is
H|:i = 1
0
|:i t |: + 1i t |: 1i
H =
X
a
{1
0
|:i h:| t |: + 1i h:| t |: 1i h:|}
H|oi =
X
a
{1
0
|:i h:| t |: + 1i h:| t |: 1i h:|} |oi
= (1
0
2t cos o) |oi
The skill used here is the Fourier transform.
Periodic condition: |:i = |` +:i
|oi =
.
X
a=0
c
ia0
|:i
=
.
X
a=0
c
ia0
|` +:i
= c
i.0
.
X
a=0
c
i(.+a)0
|` +:i
c
i.0
= 1. ò = 2::.o = 2::,` (: = 0. 1. . ` 1)
207
A 4.3 Permutation Symmetry and Identical Particles
B 4.3.1 Identical particles
Identical particles cannot be distinguished by means of any inherent properties, since
otherwise they could not be identical in all respects. In classical mechanics the existence
of sharply denable trajectories for individual particles makes it possible in principles to
distinguish between particles that are identical except for their path since each particle
can be followed during the course of an experiment. In quantum mechanics, the nite
size and the spreading of the wave packets that can describe individual particles often
make it impossible to distinguish between identical particles because of their positions,
especially if they interact with each others to an appreciable extent.
C Distinguishable and indistinguishable identical particles
Two identical particles are indistinguishable if the wave functions for the two particles
overlap, and distinguishable if the wave functions do not overlap.
C Permutation Symmetry
Let us consider the Hamiltonian of a system of two identical particles.
H =
1
2:
1
2
1
+
1
2:
1
2
2
+\
joiv
(|r
1
r
2
|) +\
cat
(r
1
) +\
cat
(r
2
)
Symmetry: to exchange the positions of two particles: 1 2, the Hamiltonian
208
is invariant
H H.
Dene the permutation operator
1
12
|r
1
i
1
|r
2
i
2
= |r
2
i
1
|r
1
i
2
1
12
H(r
1
. r
2
)1
12
= H(r
2
. r
1
).
Clearly
1
12
= 1
21
1
2
12
= 1
Consider a state ket for two particles:
|/i
1
|/
0
i
2
1
12
|/i
1
|/
0
i
2
= |/
0
i
1
|/i
2
We can construct two states
1
2
[(|/i
1
|/
0
i
2
|/
0
i
1
|/i
2
)]
which are eigenstates of 1
12
with eigenvalues 1, respectively.
Our consideration can be extended to a system made up of many identical
particles
1
i)
|r
1
. r
2
. r
i
. r
)
. . r
.
i = |r
1
. r
2
. r
)
. r
i
. . r
.
i
209
Clearly
1
2
i)
= 1
just as before, and the allowed eigenvalues of 1
i)
are 1. It is important to note that,
in general
[1
i)
. 1
|n
] 6= 0.
C Connection between spin and statistics
Half-odd-integer spin particles are fermions: electrons, protons,
Integer spin particles are boson: mesons,
4
He nucleus,
Although the allowed values of 1
i)
are 1, system containing ` identical
particles are either totally symmetrical or antisymmetric under the interchange of any
pair.
Boson:
1
i)
|` /o:o::i = |` /o:o::i
Fermions
1
i)
|` ,c::io::i = |` ,c::io::i
In two dimension, there exists so-call anyon, which satises the fractional
statistics
1
i)
|` c:o::i = c
ii
|` c:o::i
The conrmed anyons are the quasi-particles in fractional quantum Hall eect.
210
It is an empirical fact that a mixed symmetry does not occur.
C The Pauli exclusion principle
An immediate consequence of the electron being a fermion is that the electrons must
satisfy the Pauli exclusion principle, which states that no two electrons can occupy the
same state.
Let us consider a system containing N electrons without interaction
H(1. 2. . . `) = H
0
(1) +H
0
(2) + +H
0
(`).
Assume l
c
(:) are the wave functions of H
0
(:) with energy
c
H
0
(:)l
c
(:) =
c
l
c
(:).
The product of N one-particle eigen functions are the energy eigen wave function of
total system.
l(1. 2. . `) = l
c
(1)l
o
(:) l
(`)
Hl = (
c
+
o
+ +
)l.
As electrons are fermions, we have to express the wave function in an antisymmetric
211
form. One way is to express as a determinant of the ls
l
(1. 2. . `) = det
l
c
(1) l
c
(2) l
c
(`)
l
o
(1) l
o
(2) l
o
(`)
.
.
.
.
.
.
.
.
.
.
.
.
l
(1) l
(2) l
(`)
.
This function is antisymmetric and satises the Schrodinger equation with energy
c
+
o
+ +
.
If two or more of the Us are the same,
l
(1. 2. . `) = 0
which is the so-called Pauli exclusion principle.
To simplify the notation we introduce the creation and annihilation operator
c
and c such that

H
0
c
c
|0i =
c
c
c
|0i
c
c
|0i = 0
c
c
c
c
+c
c
c
c
= 1
c
c
c
o
+c
o
c
c
= 0
212
for fermions.
c
c
c
c
c
c
c
c
= 1
c
c
c
o
c
o
c
c
= 0
for bosons. The Shcrodinger equation can be reduced to
H|l
i = (
c
+
o
+ +
) |l
i
with
|l
i = c
c
c
o
c
|0i .
This is the so-called second quantization of particles.
Many-body problem: At zero temperature, all bosons occupay the lowest
energy state, which is the Bose-Einstein condensation; all fermions intend to occupy
the lower energy states, and form the Fermi sphere in the / space.
EXP Example 6
Two-particle problem
A system contains two particles, which is described by the
Hamiltonian
H = H
1
+H
2
213
where
H
1
=
1
2:
1
1
2
1
+
1
2
/
1
r
2
1
H
2
=
1
2:
2
1
2
2
+
1
2
/
2
r
2
2
(1) :
1
6= :
2
, /
1
6= /
2
(2) :
1
= :
2
, /
1
= /
2
B 4.3.2 The helium atom
The basic Hamiltonian for a helium atom is
H =
j
2
1
2:
+
j
2
2
2:

2c
2
:
1

2c
2
:
2
+
c
2
|r
1
r
2
|
This is an example in variational method.
A 4.4 Time Reversal
In this section we study a discrete symmetry, called time reversal. The terminology
was rst introduced by E. Wigner in 1932.
214
B 4.4.1 Classical cases
Let us rst look at the classical case: a motion of particle subjected to a certain force.
Its trajectory is given by the Newtonian equation of motion,
:
d
2
r
dt
2
= \ (:).
If r(t) is the solution of the equation, then r(t) is also the solution of the equation.
In another word, when we make a transformation t t, the Newtonian equation
of motion keeps unchanged. Of course we should notice the change of the boundary
condition or initial conditions for the problem.
The Maxwell equations and the Lorentz force
F = c(E+v B)
are invariant under the time reversal provided that
v v
j j
j j
B B
E E
215
D =
1
0
j
B = 0
H
JD
Jt
= 1
E+
JB
Jt
= 0
where D = c
0
E+P and H = B,j
0
M.
The Schrodinger equation
i~
J(r. t)
Jt
= (
~
2
2:
2
+\ )(r. t)
(r. t) is not a solution of the equation because of the appearance of the rst order
time derivative and the imaginary sign at the left hand side. However,
(r. t) is a
solution.
Example: a free particle, (r. t) = cc
i(ja1t)~
(r. t) = cc
i(ja+1t)~
in which the momentum is still j.NOT j.
Denition: the transformation
|ci | ci = o |ci . |,i
,
E
= o |,i
is said to be antiunitary if
D
,| c
E
= h,|ci
;
o (c
1
|ci +c
2
|,i) = c
1
o |ci +c
2
o |,i .
216
In this case the operator o is antiunitary operator.
Usually an antiunitary operator can be written as
o = l1
where l is a unitary operator and 1 is the complex conjugator operators.
B 4.4.2 Time reversal operator
Let us denote the time reversal operator by . Consider
|ci |ci
where |ci is the time reversed state. More appropriately, |ci should be called the
motion-reversed state. For a momentum eigenstate |pi . |pi should be |pi up to
a possible phase. is an anti-unitary operator. We can see this properties from the
Schrodinger equation of a time reversal invariant system.
i~
J
Jt
(r. t) = H(r. t)
i~
J
Jt
1
(r. t) = H
1
(r. t)
i~
J
Jt
1
= i~
J
Jt
; H
1
= H
217
provided that i
1
= i and
0
0t
1
=
0
0(t)
.
p
1
= p
x
1
= x
J
1
= J (= x p)
Note: for p = i~
o
oa
, p
1
= p. For j = ~/, ~/
1
=?. Why?
Check the invariance of the fundamental commincation relation
x
c
. p
o
1
= i~o
co
Starting with
x
c
. p
o
|ci = i~o
co
|ci
x
c
. p
o
1
|ci = i~o
co
|ci
x
c
. p
o
|ci = i~o
co
|ci
From the spherical harmonic 1
n
|
(o. c). we have
1
n
|
(o. c) (1
n
|
(o. c))
= (1)
n
1
n
|
(o. c)
||. :i = (1)
n
||. :i
218
B 4.4.3 Time reversal for a spin 1/2 system
Under the time reversal, t t. Applying the time reversal operation twice, can we
go back to the original states? Yes, but
2
is not alwasys equal to 1.
For a spin 1/2 system,
o
a
1
= o
a
o
j
1
= o
j
o
:
1
= o
:
Note that
o
j
o
a
o
j
= o
a
o
j
o
j
o
j
= +o
j
o
j
o
:
o
j
= o
:
and
o
a
=
0 1
1 0
; o
j
=
0 i
i 0
; o
:
=
1 0
0 1
.
Introducing the complex conjugation operator,
= io
j
1.
219
Its inverse matrix is
1
= = io
j
1.
2
= 1
(io
j
1)(io
j
1) = (io
j
)(io
j
)1
2
= 1
o
j
= o
j
o
a
1
= (io
j
1)o
a
(io
j
1)
= (io
j
)o
a
(io
j
)11 = o
j
o
a
o
j
= o
a
o
j
1
= (io
j
1)o
j
(io
j
1)
= (io
j
)(o
j
)(io
j
)11 = o
j
o
j
o
j
= o
j
o
:
1
= o
:
Consider the eigenstate of S n with eiegenvalue ~,2.
|:. +i = c
iS
:
c~
c
iS
o~
|+i
|:. +i = c
iS
:
c~
c
iS
o~
1
|+i
220
Because o
c
1
= o
c
and i
1
= i.
|:. +i = c
iS
:
c~
c
iS
o~
|+i = c
iS
:
c~
c
iS
o~
|i
= |:. i
o
:
|+i =
~
2
|+i
o
:
1
|+i =
~
2
|+i
o
:
|+i =
~
2
|+i
|+i = j |i
On the other hand,
|:. i = c
iS
:
c~
c
iS
(+o)~
|+i = c
iS
:
c~
c
iS
o~
c
iS
~
|+i
Noting that 1 acting on |+i gives |+i . We have
= c
iS~
1 = io
j
1
|+i = +|i
|i = |+i
2
= 1
221
(c
+
|+i +c
|i) = c
+
|i c
|+i
(c
+
|i c
|+i) = (c
+
|+i +c
|i)
In general
= ic
iJ
2
= (1)
2)
Kramers degeneracy: the ground state for the odd number of electrons in a
time-reversal invariant system has at least double degeneracy.
Time reversal symmetry and energy conservation
:
d
2
r
dt
2
= /r
2
+`
dr
dt
Charge current: , = c ,
Spin current: ,
c
j
=
~
4
{
o
. o
j
} ,
c
j
222
CN Chapter 5
CT Approximation Methods for Bound
States
As in the case of classical mechanics, there are relatively few physically interesting prob-
lems in the quantum mechanics which can be solved exactly. Approximation methods
are therefore very important in nearly all the applications of the theory. In this chapter
we shall develop several approximation methods.
Approximation methods can be conveniently divided into two groups, accord-
ing to whether the Hamiltonian of the system is time-independent or time-dependent.
223
A 5.1 The Variation Method
The variation method can be used for the approximate determination of the lowest or
ground-state energy level of a system when there is no closely related problem that is
capable of exact solution, so that the perturbation method is inapplicable. The most
famous achievements of the variational method in modern physics are the BCS theory
for superconductivity and Laughlins theory for fractional quantum Hall eect.
Why are we so interested in the lowest energy states? The answer is the third
law of thermodynamics: "As a system approaches absolute zero, all processes cease and
the entropy of the system approaches a minimum value."
B 5.1.1 Expectation value of the energy
We attempt to estimate the ground state energy by considering a trial ket,

. or a
trial wave function. To this end we rst prove a theorem of a great of importance. We
dene the expectation value

H such that
H =
0|
0
.
Then we can prove the following
Theorem 5 The expectation value of a trial state ket is always not less than the ground
state energy
H 1
0
.
224
G Proof. We can always imagine that any trial state can be expanded as
=
X
I
|/i
/|
where |/i is an exact eigenket of H. The expectation value
H =
0|
0
=
P
I,|
0|/
h/|H||i
||
0|
=
P
I
0|/
0|
0
1
I

P
I
0|/
0|
0
1
0
= 1
0
.
In the last step we use the property 1
I
1
0
.
The variation method does not tell us what kind of trial state ket are to
estimate the ground state energy. Quite often we must appeal to physical intuition. In
practice, we characterize the trial state ket by one or more parameters `
a
can compute
H as a function of `
a
. Then we minimize the

H by setting the derivatives with respect
to the parameters zero
J

H
J`
a
= 0.
The result of the variation method is an upper limit for the ground state energy of the
system, which is likely to be close if the form of the trial state ket or the trial wave
function resembles that of the eigenfunction. Thus it is important to make use of any
available information such as symmetry analysis or physical intuition in choosing the
trial function.
225
B 5.1.2 Particle in a one-dimensional innite square well
We attempt to estimate the ground state energy of the innite-well (one-dimensional
box) problem dened by
\ =
0. for |r| < c;

+. for r c.
The exact solution is, of course, well known:
hr|0i =
1
c
12
cos
:r
2c
.
1
0
=

~
2
2:
:
2
4c
2
.
But suppose we did not know these. Evidently the wave function must vanish at
r = c. Further the ground state should have even parity. The simplest analytic wave
function that satises both requirements is
hr|0i = c
2
r
2
.
There is no variational parameter. We can compute

H as follows
H =
R
drh0|ri
j
2
2n
hr|0i
R
drh0|ri hr|0i
=
10
:
2
1
0
1.01321
0
.
A much better result can be obtained if we use a more general trial function
hr|0i = c
|r|
.
226
where is regarded a variational wave parameter. Straightforward algebra gives
H =
( + 1) (2 + 1)
2 1
~
2
4:c
2
.
which has a minimum at
=
1 + 6
12
2
1.72.
This gives
H =
5 + 26
12
:
2
1
0
. 1.002981
0
The state with an odd parity:
hr|0i = r(c
) .
such that
hr|0i = hr|0i .
H =
R
drh0|ri
j
2
2n
hr|0i
R
drh0|ri hr|0i
=
~
2
2:
R
drr(c
)
o
2
oa
2
r(c
)
R
drr
2
(c
)
2
B 5.1.3 Ground State of Helium Atom
We use the variation method with a simple trial function to obtain an upper limit for
the energy of the ground state of the helium atom. The helium atom consists of a
227
nucleus of charge +2c surrounded by two electrons, we nd that its Hamiltonian is
H =
~
2
2:
2
1
+
2
2
2c
2
1
:
1
+
1
:
2
+
c
2
:
12
= H
1
+H
2
+\
12
where r
1
and r
2
are two position vectors of two electrons with respect to the nucleus
as origin, and :
12
= |r
1
r
2
| . If we neglect the interaction energy
c
2
v
12
between the two
electrons, the ground state wave function of H would be product of two normalized
hydrogenic wave functions
(r
1
. r
2
) =
2
3
:c
3
0
c
(Zo
0
)(v
1
+v
2
)
(5.1)
with c
0
= ~
2
,jc
2
and 2 = 2. where (r
1
) =
q
Z
3
o
3
0
c
(Zo
0
)v
1
which is the solution of
H
1.
Why is the wave function symmetric in the above equation for two electrons?
Spin singlet in the ground state.
Why 2 = 2?
We shall use Eq.(5.1) as the trial wave function and permit Z to be the vari-
ation parameter. The kinetic energy of each electron is
1
I1
=
Z
dr
1
dr
2
(r
1
. r
2
)
~
2
2:
2
1
(r
1
. r
2
) =
c
2
2
2
2c
0
.
The Coulomb energy of each electron is
1
C1
=
Z
dr
1
dr
2
(r
1
. r
2
)
2c
2
:
1
(r
1
. r
2
) =
2c
2
2
c
0
.
228
The interaction energy of two electrons is
1
iat
=
Z
dr
1
dr
2
(r
1
. r
2
)
c
2
:
12
(r
1
. r
2
) =
5c
2
2
8c
0
.
Here we make use of the formula
1
:
12
=
1
:
1
X
|=0
:
2
:
1
|
1
|
(cos o). :
1
:
2
1
:
12
=
1
:
2
X
|=0
:
1
:
2
|
1
|
(cos o). :
2
:
1
where 1
|
is the spherical harmonics and o is the angle of these two vectors.
Totally, the expectation value of the Hamiltonian is
H =
c
2
2
2
c
0

4c
2
2
c
0
+
5c
2
2
8c
0
=
c
2
c
0
2
2
27
8
2
=
c
2
c
0
"
2
27
16
27
16
2
#
.
The expectation is minimized at
2 = 27,16 1.69.
and
H =
27
16
2
c
2
c
0
= 2.85
c
2
c
0
.
The experimental value for a helium atom is 2.904c
2
,c
0
. so our estimation is about
1.9% higher.
229
The Bardeen-Copper-Schrieer (BCS) wave function for superconductivity
|1Coi =
Y
I
(n
I
+
I
c
I,
c
I,
) |0i
The Laughlin wave function for fractional quantum Hall eect
({.
)
}) =
Y
(.
)
.
I
)
3
exp[
X
.
)
.
)
,4|
2
1
]
with .
)
= r
)
+i
)
and the magnetic length |
1
=
p
~c,c1.
A 5.2 Stationary Perturbation Theory: Nondegener-
ate Case
B 5.2.1 Statement of the Problem
In this section we shall discuss the Rayleigh-Schrodinger perturbation theory, which
analyses the modications of discrete energy levels and the corresponding eigenfunctions
of a system when a perturbation is applied.
We consider a time independent Hamiltonian H such that it can be split into
two parts, namely
H = H
0
+\.
The perturbation theory is based on the assumption that when \ = 0, both the exact
eigenvalues 1
(0)
a
and the exact energy eigenkets

:
(0)
of H
0
are know
H
0
:
(0)
= 1
(0)
a
:
(0)
.
230
We are required to nd approximate eigenkets and eigenvalues for the full Hamiltonian
problem
(H
0
+\ ) |:i = 1
a
|:i .
In general, \ is not the full potential operator. We expect that the \ is not very
large and should not change the eigenvalues and eigenkets of H
0
very much.
It is customary to introduce a parameter ` such that we solve
(H
0
+`\ ) |:i = 1
a
|:i
instead of the original one. We take 0 ` 1. The case of ` = 0 corresponds to the
unperturbed problem and the case of ` = 1 corresponds to the full strength problem
we want to solve.
B 5.2.2 The Two-State Problem
Before we embark on a systematic presentation of the basic method, let us see how the
expansion in ` might indeed be valid in the exactly soluble two-state problem we have
encountered many times already. Suppose we have a Hamiltonian that can be written
as
H = H
0
+`\
= 1
(0)
1
1
(0)

1
(0)
+1
(0)
2
2
(0)

2
(0)
+`\
12
1
(0)

2
(0)
+`\
21
2
(0)

1
(0)
231
where 1
(0)
a
and

:
(0)
are the exact eigenvalues and eigenstates for H

0
. The index 0
stands for the unperturbed problem. We can also express the Hamiltonian by a square
matrix
H =
1
(0)
1
`\
12
`\
21
1
(0)
2
.
What is the eigenvalues of H?
1
1
=
1
(0)
1
+1
(0)
2
2
+
1
(0)
1
1
(0)
2
2
!
2
+`
2
\
12
\
21
12
;
1
2
=
1
(0)
1
+1
(0)
2
2

1
(0)
1
1
(0)
2
2
!
2
+`
2
\
12
\
21
12
.
So this problem can be solved exactly. Let us suppose `\ is small compared with
the relevant energy scale, the dierence of the energy eigenvalues of the unperturbed
problem:
`|\
12
|

1
(0)
1
1
(0)
2
Using the formula

(1 +r)
12
= 1 +
1
2
r
1
8
r
2
+ . (5.2)
we obtain the expansion of the energy eigenvalues in terms of `
1
1
= 1
(0)
1
+
`
2
\
12
\
21
1
(0)
1
1
(0)
2
+ ;
1
2
= 1
(0)
2

`
2
\
12
\
21
1
(0)
1
1
(0)
2
+ .
232
As the expansion in Eq.(5.2) holds for r < 1, the expansion is available in the case of
small \ .
B 5.2.3 Formal Development of Perturbation
We are dealing with the perturbation of a bound state. The assumption that \ is small
compared with the energy scale suggests that we expand the perturbed eigenvalues and
eigenkets as power series in \ . This is most conveniently accomplished in the terms of
the parameter ` such that the zero, rst, etc., powers of ` correspond to the zero, rst,
etc., orders of the perturbation calculation.
The perturbed wave function and energy level are written
|:i =

:
(0)
+`
:
(1)
+`
2
:
(2)
+ ;
1
a
= 1
(0)
a
+`1
(1)
a
+`
2
1
(2)
a
+
and are substituted into the wave equation to give
(H
0
+`\ )
:
(0)
+`
:
(1)
+`
2
:
(2)
=

1
(0)
a
+`1
(1)
a
+`
2
1
(2)
a
+
:
(0)
+`
:
(1)
+`
2
:
(2)
.
Since the Equation is supposed to be valid for a continuous range of `, we can equate
the coecients of equal powers of ` on the both sides to obtain a series of equations
233
that represent successively higher orders of the perturbation.
H
0
1
(0)
a

:
(0)
= 0 (5.3)
H
0
1
(0)
a

:
(1)
= (1
(1)
a
\ )
:
(0)
(5.4)
H
0
1
(0)
a

:
(2)
= (1
(1)
a
\ )
:
(1)
+1
(2)
a
:
(0)
(5.5)
H
0
1
(0)
a

:
(3)
= (1
(1)
a
\ )
:
(2)
+1
(2)
a
:
(1)
+1
(3)
a
:
(0)
(5.6)
.
.
.
Zero-order perturbation
The Eq. (5.3) means that

:
(0)
is one of the unperturbed eigenkets, as

expected. We can obtain it directly by taking ` = 0. The eigenvalue is 1
(0)
a
. Since we
are dealing with the perturbation of a bound state, the state ket

:
(0)
is discrete. It
is assumed to be nondegenerate as well, although others of unperturbed eigenkets may
be degenerate or continuously distributed in energy.
First-order perturbation
Multiplying an eigen bra of the unperturbed Hamiltonian from the left hand
on both sides of the Eq.(5.4), we obtain
:
(0)
H
0
1
(0)
a

:
(1)
=

:
(0)
(1
(1)
a
\ )
:
(0)
(5.7)
:
(0)
H
0
1
(0)
a

:
(1)
=

:
(0)
(1
(1)
a
\ )
:
(0)
(5.8)
234
where : 6= :. The Eq. (5.7) gives
1
(1)
a
=
:
(0)
:
(0)
= \
aa
.
It is convenient to calculate
:
(1)
by expanding it in terms of the unperturbed eigenkets
:
(1)
=
X
n
c
(1)
n
:
(0)
where the summation runs over all possible eigenkets of H

0
. To simplify the notation,
we dene
\
na
=
:
(0)
:
(0)
From the Eq.(5.5),
H
0
1
(0)
a
X
n
c
(1)
n
:
(0)
= (1
(1)
a
\ )
:
(0)
X
n
c
(1)
n
1
(0)
n
1
(0)
a

:
(0)
= (1
(1)
a
\ )
:
(0)
multiplying
:
(0)
from the left hand side, we obtain

c
(1)
n
=
\
na
1
(0)
a
1
(0)
n
.
Second-order perturbation
The second-order correction to the energy is
1
(2)
a
=
:
(0)
:
(1)
=
X
n6=a
\
na
\
an
1
(0)
a
1
(0)
n
.
235
Similarly, we expand

:
(2)
in terms of the unperturbed eigenkets
:
(2)
=
X
n
c
(2)
n
:
(0)
.
To calculate c
(2)
n
, we apply
:
(0)
from the left hand on both side of the Equation and

obtain
:
(0)
H
0
1
(0)
a

:
(2)
:
(0)
(1
(1)
a
\ )
:
(1)
:
(0)
1
(2)
a
:
(0)
.
That is
c
(2)
n
=
1
1
(0)
n
1
(0)
a
:
(0)
(1
(1)
a
\ )
:
(1)
:
(0)
1
(2)
a
:
(0)
.
Summary
In short, the explicit expression for the energy expansion is
1
a
= 1
(0)
a
+`\
aa
+`
2
X
n6=a
\
an
\
na
1
(0)
a
1
(0)
n
+ .
The expansion of the perturbed eigenket is as follows
|:i =

:
(0)
+`
X
n6=a
\
na
1
(0)
a
1
(0)
n
:
(0)
+`
2
X
n6=a
X
|6=a
\
n|
1
(0)
n
1
(0)
a
\
ln
1
(0)
|
1
(0)
a
:
(0)
`
2
X
|6=a
\
na
1
(0)
|
1
(0)
a
\
aa
1
(0)
|
1
(0)
a
:
(0)
+ .
236
Remark 6 The state ket |:i is not normalized. A normalized state ket should be
1
h:|:i
|:i
A 5.3 Application of the Perturbation Expansion
To illustrate the perturbation method we developed in the last lecture, let us look
at several examples. All examples can be solved analytically. We can compare the
perturbation results with the exact results.
B 5.3.1 Simple harmonic oscillator
The rst two examples concern a simple harmonic oscillator whose unperturbed Hamil-
tonian is the usual one
H
0
=
j
2
2:
+
1
2
:.
2
r
2
.
As we already know the Hamiltonian can be solved in this way
H
0
= ~.
c +
1
2
where
c
=

:.
2~
12
r i
j
:.
c =

:.
2~
12
r +i
j
:.
237
with the eigenvalues
1
a
= ~.
: +
1
2
.
EXP Example 1
\
0
=
.
2
:.
2
r
2
This problem can be solved exact in this way:
H = H
0
+\
0
=
j
2
2:
+
1
2
:(1 +).
2
r
2
.
The eigenvalues are
1
a
= ~(1 +)
12
.
: +
1
2
.
In the perturbation approach, we just concern about the ground
state energy. The rst order perturbation is
1
1
= h0| \
0
|0i = h0|
1
2
:.
2
r
2
|0i =

4
~.
The second order perturbation is
1
2
=
X
I6=0
|h/| \
0
|0i|
2
1
0
1
I
=
|h2| \
0
|0i|
2
1
0
1
2
=
2
16
~.
Thus the perturbation correction to the ground state energy is
41 = ~.
4

2
16
+ 0(
3
)
.
238
Compare it with the exact result.
EXP Example 2
\
0
= `r
This problem can also be solved exactly:
H = H
0
+\
0
=
j
2
2:
+
1
2
:.
2
r
2
+`r
=
j
2
2:
+
1
2
:.
2
(r r
0
)
2
1
2
:.
2
r
2
0
where
r
0
=
`
:.
2
.
Making a replacement, = r r
0
and J
a
= J
j
, we have
H =
~
2
2:
d
2
d
2
+
1
2
:.
2
1
2
:.
2
r
2
0
.
The eigenvalues are
1
a
= ~.
: +
1
2
`
2
2:.
2
.
The rst order perturbation is
1
1
= h0| \
0
|0i = 0
239
The second order perturbation is
1
2
=
X
I6=0
|h/| \
0
|0i|
2
1
0
1
I
=
|h1| \
0
|0i|
2
1
0
1
1
=
`
2
2:.
2
.
B 5.3.2 Atomic hydrogen
The Schrodinger equation for a hydrogen atom is
(
~
2
2j
2c
2
:
) = 1
In the spherical coordinates,
2
=
1
:
2
J
J:
:
2
J
J:
+
1
:
2
sino
J
Jo
sino
J
Jo
+
1
:
2
sin
2
o
J
2
Jc
2
.
The wave function can be written as
= 1(:)1
|n
(o. c)
where 1
|n
(o. c) is a spherical harmonic. (See Schi, P.76 or Sakurai, P. 454). It is the
eigenfunction for orbital angular momentum operators
1
2
1
|n
(o. c) = |(| + 1)~
2
1
|n
(o. c)
1
:
1
|n
(o. c) = :~1
|n
(o. c)
240
First several 1
|n
:
1
00
=
1
4:
; 1
10
=
r
3
4:
cos o
1
11
=
r
3
8:
sinoc
i
The Schrodinger equation is reduced to
~
2
2j
1
:
2
J
J:
:
2
J
J:
|(| + 1)
:
2
2c
2
:
1 = 11.
The solution of this equation is
1
a
=
j2
2
c
4
2~
2
:
2
=
2
2
c
2
2c
0
:
2
where : = :
0
+| + 1 and c
0
= ~
2
,jc
2
. The rst three radial functions are
1
10
=

2
c
0
32
2c
Zvo
0
1
20
=

2
2c
0
32
2
2:
c
0
c
Zv2o
0
1
21
=

2
6c
0
32
2:
c
0
c
Zv2o
0
Degeneracy
: = 1: the ground state is nondegenerate
: = 2: the rst excited state is four-fold degenerate. (1) | = 0 and : = 0; (2)
| = 1 and : = 1. 0. +1
EXP Example 3
241
Gravitational energy shift
Let consider an ordinary hydrogen atom (proton + elec-
tron) whose unperturbed Hamiltonian is
H
0
=
~
2
2j
2c
2
:
where j = :
c
`
j
,(:
c
+ `
j
) is the reduced mass. Now the proton
and electron interact not only through the electrostatic potential,
but also by means of the gravational interaction. The perturbation
due to the gravitational force is
\ = G
:
c
`
j
:
where G is the gravitational constant. The ground state wave func-
tion of atomic hydrogen is
= 1
10
(:)1
00
(o. c)
where
1
00
(o. c) =

1
4:
12
To rst order in the perturbation theory, the energy shift of the
242
ground state of atomic hydrogen due to this perturbation is
1
(1)
1
= h0| \
0
|0i
=
Z
dr |1
00
(o. c)1
10
(:)|
2
\ (:)
=
Z

0
do sino
Z
2
0
dc
Z

0
d::
2
|1
00
(o. c)1
10
(:)|
2
\ (:)
=
Z

0
d::
2
4
c
3
0
c
vo
0
G
:
c
`
j
:
= G
:
c
`
j
c
0
The ground state energy is
1
(0)
1
=
c
2
2c
0
.
The relative energy shift is
1
(1)
1
1
(0)
1
=
2G:
c
`
j
c
2
8.7 10
40
.
Needless to say, it is not necessary to calculate higher order correc-
tion in the present case.
B 5.3.3 Van der Waals interaction
An application of the Rayleigh-Schrodinger perturbation theory is to calculate the long-
range interaction or van der Waalss interaction between two hydrogen atoms.
H = H
0
+\
243
H
0
=
~
2
2:
(
2
1
+
2
2
)
c
2
:
1

c
2
:
2
\ =
c
2
:
+
c
2
|r +r
2
r
1
|

c
2
|r +r
2
|

c
2
|r r
1
|
For : c
0
,
\
c
2
:
3
(r
1
r
2
+
1
2
2.
1
.
2
) +C(
1
:
4
)
which is the interaction energy of two electric dipoles that correspond to the instanta-
neous congurations of the two atoms. The ground state of H
0
is
n
100
(r
1
)n
100
(r
2
)
The nal result is
1(:) =
X
|h0| \ |:i|
2
1
0
1
a
=
8c
2
c
5
0
:
6
Variational calculation can give a better results.
A 5.4 Stationary Perturbation Theory: Degenerate
Case
Until nowwe have assumed that the perturbed state diers slightly froman unperturbed
bound state. The perturbation method for a nondegenerate case we developed fails
when the unperturbed state are degenerate.
244
B 5.4.1 Revisited two-state problem
Starting from the two-state Hamiltonian
H =
1
(0)
1
`\
12
`\
21
1
(0)
2
.
we consider the special case of 1
(0)
1
= 1
(0)
2
, that is, the two states are energy degenerate.
In fact, this problem can be solved exactly; the energy eigenvalues are,
1
1
= 1
(0)
1
+`(\
12
\
21
)
1
2
; (5.9)
1
2
= 1
(0)
1
`(\
12
\
21
)
1
2
. (5.10)
However we cannot get this result by using the nondegenerate perturbation theory.
A blind application of the nondegenerate perturbation formula obviously runs into
diculty because
1
1
= 1
(0)
1
+
`
2
\
12
\
21
1
(0)
1
1
(0)
2
+ ;
1
2
= 1
(0)
2

`
2
\
12
\
21
1
(0)
1
1
(0)
2
+ .
become singular if \
12
is nonvanishing and 1
(0)
1
= 1
(0)
2
. So we must modify the method
of the nondegenerate case to accommodate such a situation. One way to avoid the
catastrophe is to choose our base kets in such a way that `\ has no o-diagonal matrix
element. In the two-state case, we choose a new base ket
:
(0)
= c
a
1
(0)
+/
a
2
(0)
245
the transformed perturbation becomes
`
\ = `
(\
12
\
21
)
12
0
0 (\
12
\
21
)
12
.
The solution to the coecients c
a
and /
a
are
/
1
c
1
=
(\
12
\
21
)
12
\
21
;
/
2
c
2
=
(\
12
\
21
)
12
\
12
and the state should be normalized
|c
a
|
2
+|/
a
|
2
= 1.
The transformation matrix is
l =
c
1
/
1
c
2
/
2
.
In this way the degeneracy of the perturbed state is removed. We can consider the per-
turbation correction according to the nondegenerate perturbation theory. Note that we
choose the perturbation potential is diagonal when the unperturbed state is degenerate.
The following problem is left as an exercise:
\ =
`\
11
`\
12
`\
21
`\
22
as a perturbation to a two-fold degenerate state.

246
B 5.4.2 The basic procedure of degenerate perturbation theory
We see from the two-state example that the degeneracy can be removed by choosing a
new set of base kets. Here we present a more detailed approach. Suppose now that there
are two states, |:i and |:i, that have the same unperturbed energy. Then we cannot
apply the nondegenerate perturbation formula when 1
n
= 1
a
unless it happens that
\
na
= 0. We rst consider the case in which \
na
6= 0. the initial state is not specied
by its unperturbed energy; the state may be |:i or |:i or any linear combination of
them. Let us suppose that the perturbation \ removes the degeneracy in some order,
so that for nite ` there are two states that have dierent energy. We start from the
perturbation equations in the last lecture
H
0
1
(0)
a

:
(0)
= 0 (5.11)
H
0
1
(0)
a

:
(1)
= (1
(1)
a
\ )
:
(0)
. (5.12)
Out of innite number of combinations of the two states we choose the particular pair
which depends on \. From the Eq.(5.11), we obtain
|ci = c
n
:
(0)
+c
a
:
(0)
;
1
(0)
c
= 1
(0)
n
= 1
(0)
a
.
247
Substitute the combined state into the Eq.(5.12) and take the inner product of this
equation successively with

:
(0)
and

:
(0)
, we obtain
\
nn
1
(1)
c
c
n
+\
na
c
a
= 0
\
aa
1
(1)
c
c
a
+\
an
c
n
= 0.
The two solutions of this equation are
1
(1)
c
=
1
2
(\
nn
+ \
aa
)
1
2
(\
nn
\
aa
)
2
+ 4 |\
na
|
2
12
These two solutions are equal if and only if
\
nn
= \
aa
\
na
= 0.
In this case we say the degeneracy is not removed in the rst order perturbation and
we have to consider the second order perturbation. On the other hand if either or both
of two equations are not satised, the two valued of 1
(1)
c
are distinct, and each can be
used to calculate c
n
and c
a
. In this case, we can use the nondegenerate perturbation
theory to determine the higher order perturbation. The coecients c
(1)
|
are determined
by
c
(1)
|
(1
(0)
|
1
(0)
n
) = \
|n
c
n
\
ln
c
|
for | 6= :. : if we assume that c
(1)
n
= c
(1)
a
= 0.
248
How to solve triplet degenerate problem?
The basic procedure of the degenerate perturbation theory:
(1) Identify degenerate unperturbed eigenkets and construct the perturbation
matrix \ , a q q matrix if the degeneracy is g-fold.
(2) Diagonalize the perturbation matrix by solving, as usual, the appropriate
secular equation.
(3) Identify the roots of secular equation with the rst-order energy shifts; the
base kets that diagonalize the \ matrix are the correct zero-order kets to which the
perturbed kets approach in the limit ` 0;
(4) For higher orders use the formulas of the corresponding nondegenerate
perturbation theory except in the summations, where we exclude all contributions from
the unperturbed kets in the degenerate subspace.
B 5.4.3 Example: Zeeman Eect
The change in the energy levels of an atom caused by a uniform external magnetic
eld is called the Zeeman eect. We now consider the change of rst order in the eld
strength for a hydrogen atom
A constant magnetic eld can be represented by the vector potential
A =
1
2
Br
since B = 5A. and the gauge is A = 0. The energy related to the vector potential
249
is
H =
1
2:
c
(p
c
c
A)
2
4H =
ic~
:
c
c
A 5+
c
2
2:
c
c
A
2
=
c
2:
c
c
B L +
c
2
8:
c
c
2
1
2
:
2
sin
2
o
where L = r p, o is the angle between r and H, and e is a positive quantity.
A p =
1
2
(Br) p
=
1
2
c
co
1
c
:
o
j
=
1
2
B (r p) =
1
2
B L
Since we wish to work only to the rst order in B we can put
\ =
c
2:
c
c
B L.
The energy eigenfunctions of the unperturbed hydrogen atom are usually chosen to
be eigenstates of 1
:
with the eigenvalues :~. We choose the magnetic eld is in the
z-direction, then the rst order perturbation is
1
(0)
1
= h:| \ |:i =
c
2:
c
c
1:~.
So the degeneracy of the 2| + 1 states is removed in rst order.
(1). s-wave: | = 0, and : = 0;
(2). p-wave: | = 1, and : = 1, 0, and 1.
250
We may add the spin magentic-momentum interaction
j 1 =
c
:
c
c
S B
So the energy caused by a magenetic eld is
H
1
=
c
2:
c
c
B (L + 2S)
B 5.4.4 Spin-Orbit interaction
Assume a central potential: \
c
(:)
A valence electron experience an electric eld,
E =
1
c
\
c
(:)
Whenever a moving charge is subjected to an electric eld, it "feels" an eective mag-
netic eld,
1
c))
=
v
c
E
The interaction energy related to the electron spin and the eective magnetic eld
H
1S
= j B
c))
=
cS
:
c
c

p
:
c
c

1
c
\
c
(:)
=
cS
:
c
c

p
:
c
c

1
c
r
:
J\
c
(:)
J:
=
1
:
2
c
c
2
1
:
J\
c
(:)
J:
L S
251
Consider the relativistic quantum correction, the spin-orbit coupling is only half of the
above term.
Weak eld: H
1S
is dominant.
Strong eld: the Zeeman splitting is dominant.
B 5.4.5 Example: First Order Stark Eect in Hydrogen
The change in the energy levels of an atom caused by a uniform external electric eld
of strength E is called the Stark eect. The perturbation \ is now the extra energy of
the nucleus and electron in the external eld and is ready shown to be
\ = c1: cos o
where the polar axis and E are in the direction of positive . and c is again a positive
quantity. In a hydrogen atom the Coulomb potential is rotationally invariant. The wave
function for any spherically symmetric ponetial energy, when expressed in spherical
harmonics, have even or odd parity according as the azimuthal quantum number | is
even or odd. Since the perturbation is odd parity with respect to inversion, the ground
state has even parity and has no rst-order Stark eect. The rst excited state (: = 2)
of hydrogen is four fold degenerate; the quantum numbers | and : have the value
(0. 0), (1. 1), (1. 0), (1. 1). Since the perturbation \ commutes with the z-component
of angular momentum,
[1
:
. \ ] = 0.
252
we obtain
(:
i
:
I
) h|. :
i
| \ ||
0
. :
I
i = 0.
The nonvanishing matrix elements of \ are
\
1
= h1. 0| \ |0. 0i = h0. 0| \ |1. 0i
= c1
Z
drn
210
(r): cos on
200
( r)
=
c1
16c
4
0
Z
+1
1
cos
2
od cos o
Z

0
d:(2
:
c
0
)c
vo0
= 3c1c
0
.
1
10
=

2
c
0
32
2c
Zvo
0
; 1
00
=
1
4:
1
20
=

2
2c
0
32
2
2:
c
0
c
Zv2o
0
; 1
10
=
r
3
4:
cos o
The rst order energy correction is determined by the secular equation
1
1
\
1
0 0
\
1
1
1
0 0
0 0 1
1
0
0 0 0 1
1
= 0.
253
The four roots of the secular equation are
1
1
=
|\
1
|
0
0
+|\
1
|
.
so that half of the four fold degeneracy is removed in the rst order.
A 5.5 The Wentzel-Kramers-Brillouin (WKB) approx-
imation
The Wentzel-Kramers-Brillouin approxiamtion is for the approxiamte treatment of the
Shrodinger wave equation that shows its connection with the Bohr-Sommerfeld quan-
tization rules. It is based on an expansion of the wavefunction in powers of ~, which,
although of a semiconvergent or asymptotic character, is nevertheless also useful for
the approximate solution of quantum-mechanical problems in appropriate cases.
254
A 5.6 Time-dependent Problem: Interacting Picture
and Two-State Problem
When the Hamiltonian depends on the time, there are no stationary solution of the
Schrdinger equation. Thus our identication of a bound state with a discrete energy
level and stationary eigenket must be modied.
B 5.6.1 Time-dependent Potential and Interacting Picture
We consider a Hamiltonian H such that is can be split into two parts,
H = H
0
+\ (t).
where H
0
does not contain time explicitly. The problem of H
0
or \ (t) = 0 is assumed
to be solved completely, i.e.,
H
0
|:i = 1
a
|:i .
Assume \ (t) = 0 at t = 0. The state ket is given by
|ci =
X
a
c
a
(0) |:i .
In the system of H
0
, the state ket at a later time will evolve into
|c(t)i =
X
a
c
a
(0)c
i1
n
t~
|:i .
Our question is how the state ket of H (not H
0
) changes as time goes on.
255
Now we must work with the time-dependent Schrodinger equation
i~
J
Jt
|c(t)i = (H
0
+\ (t)) |c(t)i . (5.13)
Our procedure consists in expressing
|c(t)i =
X
a
c
a
(t)c
i1
n
t~
|:i . (5.14)
Substituting Eq. (5.14) into Eq. (5.13),
i~
J
Jt
"
X
a
c
a
(t)c
i1nt~
|:i
#
= (H
0
+\ (t))
"
X
a
c
a
(t)c
i1nt~
|:i
#
.
1Ho =
X
a
i~
J
Jt
c
a
(t)
c
i1nt~
|:i +
X
a
c
a
(t)
i~
J
Jt
c
i1nt~
|:i
=
X
a
i~
J
Jt
c
a
(t)
c
i1nt~
|:i +
X
a
c
a
(t)1
a
c
i1nt~
|:i
1Ho = (H
0
+\ (t))
"
X
a
c
a
(t)c
i1
n
t~
|:i
#
=
X
a
c
a
(t)1
a
c
i1
n
t~
|:i +\ (t)
X
a
c
a
(t)c
i1
n
t~
|:i
we obtain
X
a
i~
J
Jt
c
a
(t)
c
i1
n
t~
|:i = \ (t)
X
a
c
a
(t)c
i1
n
t~
|:i
i~
J
Jt
c
I
=
X
a
h/| \ |:i c
a
c
i1
In
t~
=
X
a
h/| \
1
|:i c
a
(5.15)
where the Bohr frequency is dened as
.
Ia
=
1
I
1
a
~
.
256
This equation is exactly equivalent to the original problem.
Interaction picture
Two kinds of changes have been made in going from Eq. (5.13). First, we
have changed the representation from specied in terms of the coordinates to being
specied in terms of the unperturbed energy eigenvalues. Second, we have changed
from the Schrodinger to the interaction picture.
h/| \
1
|:i = h/| c
i1
0S
t~
\
S
c
i1
0S
t~
|:i
= h/| \
S
|:i c
i1
In
t~
.
The equations in the interaction picture
i~
J
Jt
|c. t
0
. ti = \
1
(t) |c. t
0
. ti
i~
J
Jt
1
= [
1
. H
0
]
B 5.6.2 Time-dependent Two-State Problem
Exact soluble problem of time-dependent potential are rather rare. However, a two
state problem with sinusoidal oscillating potential can be solved exactly.
The Problem is dened by
H
0
= 1
1
|1i h1| +1
2
|2i h2| (1
2
1
1
)
\ (t) = c
i.t
|1i h2| +c
i.t
|2i h1| .
257
In the interaction picture, the Eq. (5.15) can be written as
i~
J
Jt
c
1
(t)
c
2
(t)
0 c
i4.t
c
i4.t
0
c
1
(t)
c
2
(t)
The equation is reduced to

i~
J
Jt
c
1
(t) = c
i4.t
c
2
(t) (5.16)
i~
J
Jt
c
2
(t) = c
i4.t
c
1
(t) (5.17)
where 4. = . +1
1
1
2
.
How to solve this equation?
From Eq. (5.16) we have
c
2
(t) = (c
i4.t
)
1
i~
J
Jt
c
1
(t)
Substituting c
2
into Eq.(5.17),
i~
J
Jt
(c
i4.t
)
1
i~
J
Jt
c
1
(t)
= c
i4.t
c
1
(t)
J
2
Jt
2
c
1
+i.
J
Jt
c
1
=

2
~
2
c
1
Assume c
1
= c exp[i`t]. we have
`
2
.` =
2
,~
2
;
` =
1
2
.
p
.
2
+
2
,~
2
258
So the general solutions are
c
1
= c
+
c
.
2
(4.+.
T
)t
+c
c
.
2
(4..
T
)t
c
2
=
~
2
(4. +.
1
)c
+
c
.
2
(4..
T
)t
~
2
(4. .
1
)c
.
2
(4.+.
T
)t
c are two coecients and determined by the initial conditions and
.
1
=
4
2
~
2
+ (. +.
12
)
2
12
.
If initially, at t = 0, only the lower is populated so that
c
1
(0) = 1. and c
2
(0) = 0
then the probability for being found in each of the two states is given by
|c
2
(t)|
2
=

2
2
+ (. +.
12
)
2
~
2
,4
sin
2
1
2
.
1
t
.
|c
1
(t)|
2
= 1 |c
2
(t)|
2
This is Rabis formula, after I. I. Rabi.
Spin Magnetic Resonance
The two-state problem has many physical applications: Spin magnetic reso-
nance, maser etc. Consider a spin 1/2 system subjected to a t-independent uniform
magnetic eld in the z-direction and, in addition, a t-dependent magnetic eld rotating
in the xy plane.
1 = 1
0
. +1
1
( rcos .t + sin .t)
259
Figure 5.1:
with 1
0
and 1
1
constant.
We treat the eect of the uniform t-independent eld as H
0
and the eect of
the rotating eld as \ (t).
H
0
=
c~1
0
2:
c
c
(|+i h+| |i h|)
\ (t) =
c~1
1
2:
c
c
[cos .t (|+i h| +|i h+|) + sin.t (i |+i h| +i |i h+|)]
=
c~1
1
2:
c
c
c
i.t
|+i h| +c
+i.t
|i h+|
Four Nobel Prize winners who took advantage of resonance in two-level sys-
tems
Rabi (1944): on molecular beams and nuclear magnetic resonance;
Bloch and Purcell (1952): on B eld in atomic nuclei and nuclear magnetic mo-
260
Figure 5.2:
ments;
Townes, Basov, and Prochorov (1964): on masers, lasers, and quantum optics;
Kastler (1966): on optical pumping
A 5.7 Time-dependent Perturbation Problem
B 5.7.1 Perturbation Theory
We now return to Eq. (5.3), replace \ by `\ , and express the c
a
as the power series
in `
c
a
= c
(0)
a
+`c
(1)
a
+`
2
c
(2)
a
+ .
261
The substitution yields the set of equations
J
Jt
c
(0)
a
= 0
i~
J
Jt
c
(c+1)
a
=
X
I
h:| \ |/i c
(c)
I
c
+i1
nI
t~
.
The zero-order coecient are constant in time. We shall assume that all except one of
the c
(0)
a
, say : = :. are zero, so that the system is initially in a denite unperturbed
energy state. Thus the solutions to the zero order coecients are
c
(0)
a
= h:|:i = o
na
.
Integration of the rst-order equation gives
c
(1)
a
= (i~)
1
Z
t
h:| \ (t) |:i c

i1
nr
t~
dt (5.18)
The integral constant has been chosen in such a way that c
(1)
a
vanish at t = t
0
. To rst
order in the perturbation, the transition probability corresponding to the transition
: :, (that is, the probability that the system, initially in the state :, be found at
time t in the state : 6= :) is therefore
1
na
=

c
(1)
a
2
. : 6= :.
262
It is also worth noting that for t t
0
the coecient c
n
of the state : is given to rst
order in the perturbation by
c
n
(t) c
(0)
n
(t) +c
(1)
n
(t)
1 + (i~)
1
Z
t
h:| \ (t) |:i dt

exp
i
~
Z
t
h:| \ (t) |:i dt
So the principal eect of the perturbation on the initial state is to change the phase.
B 5.7.2 Time-independent perturbation
The result takes particular simple form if the perturbation \ is independent of time,
except for being switched on suddenly at a given time.
\ (t) =
0 for t < 0
\ for t 0
We then obtain
c
(1)
n
=
i
~
h:| \ |:i t
c
(1)
a
= h:| \ |:i
1 c
i1nrt~
1
an
= h:| \ |:i c
i1
nr
t2~
c
i1
nr
t2~
c
i1
nr
t2~
1
an
= 2ic
i1
nr
t2~
h:| \ |:i
sin(1
an
t,2~)
1
an
263
Hence
c
n
c
.TrI~
|:i = (1 + (i~)
1
Z
t
h:| \ (t) |:i dt)c

.TrI~
|:i
c
(T
r
+1
rr
)I~
|:i
This is in agreement with the result using the stationary perturbation theory. The rst
order transition probability from : to : is given by
1
(1)
na
= 4 h:| \ |:i
2
sin (1
na
t,2~)
1
an
2
It is worth noting that this is valid for nondegenerate case.
In the case of 1
an
= 0:
sin(1
na
t,2~)
1
an
=
t
2~
the probability is
1
(1)
na
=
1
~
2
h:| \ |:i
2
t
2
B 5.7.3 Harmonic perturbation
Eq. (5.18) takes a particularly simple form if the perturbation \ depends harmonically
on the time except for being turned on at one time and o at a latter time. We shall
call these two times 0 and t
0
, respectively, and assume that we can write
h/| \ (t) |:i = h/| \ |:i sin .t
264
where h/| \ |:i is time independent. The rst order amplitude at any time t at or after
t
0
c
(1)
a
=
h:| \ |:i
i~
c
i(.nr+.)t
0
1
.
an
+.

c
i(.nr.)t
0
1
.
an
.
The structure of Eq. (??) suggests that the amplitude is appreciable only when the
denominator of one or the other of the two terms is particularly zero. The rst term
is important when . .
an
and the second term is important when . +.
an
. For
the present, we specialize to a situation in which the initial state : is a discrete bound
state and the nal state : is one of a continuous set of dissociated states. The rst order
probability of nding the system in the state |:i after the perturbation is removed is
c
(1)
a
(t t
0
)
2
=
4 |h:| \ |:i|
2
~
2

sin
2
[(.
an
.) t
0
,2]
(.
an
.)
2
. (5.19)
B 5.7.4 The Golden Rule
The factor sin
2
[(.
an
.) t
0
,2] , (.
an
.)
2
is plotted in Figure. The height of the
main peak increases in proportional to t
2
0
. Thus if there is a group of states |:i that
have energy nearly equal to 1: +~., and for which |h:| \ |:i| is roughly independent
of :, the probability of nding a system in one or another of these states is proportional
to t
0
.
1
(1)
na
=
X
a,1
n
1
.
c
(1)
a
Z
d1
a
j(1
a
)
c
(1)
a
2
265
Figure 5.3:
where j(:)d1
a
is the number of nal states with energies between 1
a
and 1
a
+ d1
a
.
the concept of an energy density j(:) of nal state is sensible, since we are considering
the case in which the transition is to one or another of a continuous set of dissociated
states.
Z
d1
a
j(1
a
)
c
(1)
a
2
= 4
Z
d1
a
j(1
a
) sin
2
(1
a
1
i
)t
2~
|\
ia
|
2
|1
i
1
a
|
2
Follow from
lim
c+
1
:
sin
2
cr
cr
2
= o(r)
sin
2 (1
n
1
.
)t
2~
|1
i
1
a
|
2

:t
2~
o(1
i
1
a
)
266
for a large t (+).
Z
d1
a
j(1
a
)
c
(1)
a
2
= 4
Z
d1
a
j(1
a
) |\
ia
|
2
:t
2~
o(1
i
1
a
)
=
2:t
~
|\
ia
|
2
j(1
a
1
i
)
The transition probability per unit time is is approximately written as
n =
2:
~
j(:) |h:| \ |:i|
2
.
This formula, rst obtained by P. A. Dirac, was later dubbed by E. Fermi The Golden
Rule of perturbation theory.
267
CN Chapter 6
CT Collision Theory
Problems for which the energy eigenvalues are continuously distributed usually arise in
connection with the collision of a particle with a force eld. In a collision problem the
energy is specied in advance, the behavior of the wave function at great distance is
found in terms of it. This asymptotic behaviors can then be related to the amount of
scattering of the particle by the force. There are so few systems of physical interest for
which exact solutions can be found that approximation methods play an important part
in applications of the theory. Various methods that are useful in scattering problems
are considered in this chapter.
268
Figure 6.1:
A 6.1 Collisions in one- and three-dimensions
B 6.1.1 One-dimensional square potential barriers
We consider rst the one-dimensional collision of a particle with the square potential
barrier. In this problem we are interested in a particle that approaches from the region
of negative r and is reected or transmitted by the carrier. In the corresponding
classical problem, the particle is always reected if its energy is less than that of the
top of the barrier, and it is always transmitted if the energy is great. We shall see that,
in the quantum problem, both reection and transmission occur with nite probability
for most energies of the particle.
Asymptotic behaviors
We are interested in representing a particle that approaches from the left with
energy 1 0 and may be turned back by the potential barrier or penetrate through
269
it. Thus the asymptotic behavior in the region where \ (r) = 0 is as follows: for r < 0
we want the wave function to represent a particle moving to the left (reected particle)
as well as to the right (incident particle): for r c, we want the wave function to
represent only a particle moving to the right (transmitted particle).
The wave function in the region where \ (r) = 0 is
~
2
2:
J
2
Jr
2
n = 1n.
Our asymptotic solution are
n(r) = c
iIa
+1c
iIa
. r < 0
n(r) = Cc
iIa
. r c
where
/ = j,~ =

2:1
~
2
12
Normalization
Recall the denition of the possibility current density
J =
~
2i:
[
) ] .
The possibility current densities at r < 0 and r c are
J(r) =
~/
:
||
2
|1|
2
. r < 0
J(r) =
~/
:
|C|
2
. r c.
270
The two currents are independent of the position and should be equal due to the
conversation of the practice.
Scattering coecients
The character of the solution inside the potential barrier depends on whether
1 is greater or less than the potential barrier \
0
.
C The case 1 \
0
The solution in the potential barrier is
n(r) = 1c
ica
+Gc
ica
. 0 < r < c
where
c =

2:(1 \
0
)
~
2
12
.
The continuity of n and Jn,Jr at r = 0 and r = c required by the boundary condition
provides four relations between the ve coecients. At r = 0.
+1 = 1 +G
/(1) = c(1 G)
At r = c,
1c
ico
+Gc
ico
= Cc
iIo
c
1c
ico
+Gc
ico
= /Cc
iIo
271
We can eliminate 1 and G and solve for the ratios 1, and C,.
1
=
(/
2
c
2
) (1 c
2ico
)
(/ +c)
2
(/ c)
2
c
2ico
C
=
4/c
1 c
i(cI)o
(/ +c)
2
(/ c)
2
c
2ico
The reection coecient is
2
=
1 +
41(1 \
0
)
\
2
0
sin
2
cc
1
.
The transmission coecient is
2
=
1 +
\
2
0
sin
2
cc
41(1 \
0
)
1
.
2
+
2
=
1
1 +
41(1\
0
)
\
2
0
sin
2
co
+
1
1 +
\
2
0
sin
2
co
41(1\
0
)
=
\
2
0
sin
2
cc + 41(1 \
0
)
\
2
0
sin
2
cc + 41(1 \
0
)
= 1
C The case 1 < \
0
The reection and transmission coecients for 0 < 1 < \
0
are obtained by replace c
by i, in the wave function in the potential barrier.
, =

2:(\
0
1)
~
2
12
.
The reection coecient is
2
=
1 +
41(\
0
1)
\
2
0
sinh
2
cc
1
.
272
Figure 6.2: The transmission coecient of a square barrier.
The transmission coecient is
2
=
1 +
\
2
0
sinh
2
cc
41(\
0
1)
1
.
B 6.1.2 Datta-Das spin eld transistor
In 1990, Datta and Das proposed....
A 6.2 Collision in three dimensions
Scattering cross section
The angular distribution of particles scattered by a xed center of force or by
other particles is conveniently described in terms of a scattering cross section. Suppose
that we bombard a group of : particles or scattering centers with a parallel ux of `
273
particles per unit time and count the number of incident particles that emerge per unit
time in a small solid angle 4.
0
(?) centered about a direction that has polar angles
o
0
and c
0
with respect to the bombarding direction as polar axis. This number will
be proportional to `, : and 4.
0
provided that the ux is small enough so that there
is no interference between bombarded particles and no appreciable diminution of the
bombarded particles by their recoil out of the target region, and provided also that the
bombarded particles are far enough apart so that each collision process involves only
one of them.
The dierent scattering cross section o
0
(o
0,
c
0
): the number of incident parti-
cles that emerge per unit time in 4.
0
can be written
:ò
0
(o
0,
c
0
)4.
0
.
The total scattering cross section:
o
0
=
Z
o
0
(o
0,
c
0
)d.
0
.
For a collision of a particle with a xed scattering center, the denition of the dierential
scattering cross section is equally valid in the laboratory and center-of-mass coordinate
systems, since a scattering center that is xed has an innite eective mass and so
that the center of mass of the system does not move. For a collision between two
particles of nite mass, however, the dierential cross section applies in general only
to the laboratory coordinate system and to the observation of the scattered incident
274
particle. It does not describe in the observation of the recoil bombarded particle in the
laboratory system, although it is of course possible to obtain a dierential cross section
for the recoil particle from o
0
(o
0,
c
0
).
Relation between angles in the laboratory and center-of-mass sys-
tems
The relation between the dierential cross section and angles in the laboratory
system and in the center-of-mass system can be found by translating the laboratory
system in the direction of the incident particle with sucient speed to bring the center
of mass to rest. Assume that a particle of mass :
1
and initial speed strikes a particle
of mass :
2
that is initially at rest. The center of mass moves with the speed
0
=
:
1
:
1
+:
2
.
Thus in the center-of-mass system the speeds of two particles are
00
=
0
and
00
.
If the collision is elastic, they evidently recede from the center of mass after the collision
with the same speed. Thus o
0,
c
0
and o
,
c are related by
00
cos o +
0
=
1
cos o
0
00
sin o =
1
sino
0
c = c
0
275
Figure 6.3:
276
From these Eqs., we obtain
tano
0
=
sino
+ cos o
=

0
00
=
:
1
:
2
Relation between cross sections
The relation between the cross section in the laboratory and center-of-mass
coordinate systems can be obtained from the denitions, which imply that the same
number of particles are scattered into dierential solid angle d.
0
about o
0
. c
0
as are
scattered into d. about o. c.
o
0
(o
0
. c
0
) sin o
0
do
0
dc
0
= o(o. c) sin ododc.
With the help of the relation o
0
. c
0
and o. c, we obtain
o
0
(o
0
. c
0
) = o(o. c)
sino
sin o
0
do
do
0
.
o
0
(o
0
. c
0
) =
(1 +
2
+ 2 cos o)
12
|1 + cos o|
o(o. c).
It should be noted that the total cross section is the same for both laboratory and
center-of-mass systems and also for both the outgoing particles, since the total number
of collision that takes place is independent of the mode of description of the process.
Dependence on =
n
1
n
2
For = 1,
tan o
0
=
sin o
+ cos o
= tan
o
2
277
Thus o
0
= o,2 and varies from 0 to :,2 as o varies from 0 to :; in this case
o
0
(o
0
. c
0
) = 4 cos o
0
o(2o
0
. c
0
)
and no particle appear in the backward hemisphere in the laboratory system.
For < 1, o
0
increase from 0 to : as o increase from 0 to :.
For 1, o
0
rst increase from 0 to a maximum value cos
1
(1,), which
is less than :,2, as o increases from 0 to cos
1
(1,); o
0
then decreases to 0 as o
increases further to :. In this case o
0
(o
0
. c
0
) is usually innite at the maximum value
of o
0
, although this singularity gives a nite contribution to the total cross section; no
particles appear beyond the maximum o
0
in the laboratory system.
A 6.3 Scattering by Spherically Symmetric Potentials
In this section, we assume that the potential \ is a function only of :, and we nd
the connection between the solution separated in spherical polar coordinate and the
asymptotic form.
Asymptotic behaviors
The dierential scattering cross section in the center-of-mass coordinate sys-
tem can be found from
~
2
2j
2
+\
n = 1n
where j = :
1
:
2
,(:
1
+ :
2
). The scattering is determined by the asymptotic form of
278
n in the region where \ = 0
n = [c
iI:
+
1
:
,(o. c)c
iIv
] (6.1)
where / = j,~ and is the speed of the incident particle. The probability current
density J is given by
J(:) =
~
2ji
()
The gradient operator can be expressed in polar coordinates as

=
J
J:
r+
1
:
J
Jo
+
1
: sino
J
Jc
.
Since the second and third terms are small when : is large, the current for large : is in
the radial direction and
J
v
=
~/
j
|,(o. c)|
2
,:
2
The number of scattered particles entering the solid angle (or detector) per unit time
is
`d. = J
v
:
2
d.
=
~/
j
|,(o. c)|
2
d..
From the denition of the cross section, it follows
o (o. c) = |,(o. c)|
2
.
Dierential cross section
279
The asymptotic behavior of the wave function determines the dierential
scattering cross section but cannot itself be found without solving the wave equation
throughout all space. In the spherical polar coordinate,
~
2
2j
5
2
n = (1 \ )n.
5
2
=
1
:
2
J
J:
:
2
J
J:
+
1
:
2
sino
J
Jo
sino
J
Jo
+
J
2
J
2
c
The radial and angular parts of the solution can be separated by taking
n(:. o. c) = 1(:)1
|n
(o. c)
where
1
|n
(o. c) = `
|n
1
n
|
(cos o)c
in
is the spherical harmonic. The problem now possesses symmetry about the polar axis,
so that n. ,, and o are independent of the angle c. That is, we just consider the
case of : = 0. In the case the 1
n=0
|
is reduced to the Legendre polynomials. Thus,
the general solution can then be written as a sum of products of radial function and
Legendre polynomials,
n =

X
|=0
(2| + 1)i
|
1
|
(:)1
|
(cos o)
=

X
|=0
(2| + 1)i
|
:
1
|
(:)1
|
(cos o)
where 1
|
is the Legendre polynomial of order |, and
|
satises
d
2
|
d
2
:
+
/
2
l(:)
|(| + 1)
:
2
|
= 0
280
where
/ =

2j1
~
2
12
l(:) =
2j\ (:)
~
2
0. as : +
1
:
2
J
J:
:
2
J
J:
=
1
:
J
2
J:
2
:
In the limit of : +.
d
2
|
d
2
:
+/
2
|
= 0
the solution
|
is one of the form
|
c
iIv
|
sin(/: +o
0
|
)
In some specialized problems, l(:) can be neglected for : greater than some distance
c, and c may be small enough so that the | term is negligible. The general form for
1
|
(:) has the form
1
|
(:) = c
ic
I
[cos o
|
,
|
(/:) sin o
|
:
|
(/:)]
c
ic
I
/:
sin(/:
|
2
: +o
|
). : . (6.2)
281
Here ,
|
is the spherical Bessel function;
,
|
(j) =

:
2j
12
J
|+12
(j)
1
j
cos(j
| + 1
2
:). j
j
|
(2| + 1)!!
. j 0
:
|
is the spherical Neumann function;
:
|
(j) = (1)
|+1
:
2j
12
J
|12
(j)
1
j
sin(j
| + 1
2
:). j

(2| 1)!!
j
|+1
. j 0.
To identify the form of ,, we require an expansion of c
iI:
= c
iIv cos 0
in Legendre
polynomials;
c
iIv cos 0
=

X
|=0
(2| + 1)i
I
,
|
(/:)1
|
(cos o).
Comparison of Eq.(6.1) with the general form 1
|
(:) gives
c
iI:
+:
1
,(o. c)c
iIv
=

X
|=0
(2| + 1)i
I
,
|
(/:)1
|
(cos o) +:
1
,(o. c)c
iIv
=

X
|=0
(2| + 1)i
I
|
(/:)
1
sin(/:
|:
2
+o
|
)1
|
(cos o).
282
|
are the coecient for dierent |, and should take the form
|
= c
ic
I
.
Thus it gives
,(o) =
1
2i/
X
|=0
(2| + 1)(c
2ic
I
1)1
|
(cos o).
Thus the dierential cross section is
o(o) = |,(o)|
2
=
1
/
2
X
|=0
(2| + 1)(c
2ic
I
1)1
|
(cos o)
2
Total elastic cross section
The total elastic cross section is given by
o = 2:
Z

0
o(o) sin odo
=
4:
/
2
X
|=0
(2| + 1) sin
2
o
|
.
Here we make use of the orthogonality property of the Legendre polynomials
Z
+1
1
d cos o1
|
(cos o)1
|
0 (cos o) =
2
2| + 1
o
||
0 .
The total cross section can also be related to ,(0). it follows from the generating
function for the Legendre polynomials that 1
|
(1) = 1 for o = 0 and all |, so that
,(0) =
1
i2/
X
|=0
(2| + 1)
c
2ic
I
1
.
283
Comparison with the total cross section shows
o =
2:
i/
[,(0) ,
(0)] =
4:
/
Im,(0).
This relation is known as the optical theorem.
The physical interpretation of the optical theorem is as follows: In order for
scattering to take place, particles must be removed in an amount proportional to o
from the incident beam, so that its intensity is smaller behind the scattering region
(o 0) than in front of it. This can occur only by the interference between two terms
in the asymptotic expression of the wave function.
Phase shifts
The angle o
|
is called the phase shift of the l
tI
partial wave, since according to
Eq.(6.2) it is the dierence in phase between the asymptotic forms of the actual radial
function 1
|
(/:) and the radial function ,
|
(/:) in the absence of the scattering potential.
the phase shifts completely determine the scattering, and the scattering cross section
vanishes when each of o
|
is 0
c
or 180
c
.
A 6.4 Applications
B 6.4.1 Scattering by a square well
In general, for a given potential, phase shifts are calculated from a numerical solution
of the radial equations. In a few cases an analytical solution is possible, in particular
284
for scattering by an attractive square well, for which the reduced potential l(:) is
l(:) =
l
0
(< 0). : < c;
0. : c.
Inside the well (: < c) the radial equation is
d
2
d:
2
+
2
:
d
d:

|(| + 1)
:
2
+1
2
1
|
(1:) = 0
where we set 1
2
= /
2
+l
0
. The regular solution of this equation is
1
1
|
(1:) =
|
,
|
(1:). : < c.
In the exterior region the radial equation is
d
2
d:
2
+
2
:
d
d:

|(| + 1)
:
2
+/
2
1
|
(/:) = 0
The general solution is
1
1
|
(/:) = 1
|
[,
|
(/:) tano
|
:
|
(/:)] . : c. (6.3)
The solutions for : < c and : c can be joined smoothly at : = c by requiring that
1
1
|
(1c) = 1
1
|
(/c);
d1
1
|
(1:)
d:
v=o
=
d1
1
|
(/:)
d:
v=o
Eliminating the normalization constants gives
tano
|
(/) =
/,
0
|
(/c),
|
(1c) 1,
|
(/c),
0
|
(1c)
/:
0
|
(/c),
|
(1c) 1:
|
(/c),
0
|
(1c)
.
285
At low energies, the scattering is dominated by the | = 0 wave. Using the formula
,
0
(j) =
sinj
j
:
0
(j) =
cos j
j
we have
tan o
0
(/) =
/ tan1c 1 tan/c
1 +/ tan /c tan1c
.
In the low-energy limit, /c 1. tan /c /c, and
o
0
(/) = /c
1
tan1c
1c
Then the | = 0 partial cross section is

o
|=0
=
4:
/
2
sin
2
o
0
4:c
2
1
tan 1c
1c
2
B 6.4.2 Scattering by a hard-sphere potential
Another simple, but interesting example is the hard-sphere potential
l(:) =
+. : < c;
0. : c.
Since the scattered particle cannot penetrate into the region : < c, the wave function in
the exterior region must vanish at : = c. Since the scattered particle cannot penetrate
286
into the region : < c. the wave function in the exterior region, given by Eq.(6.3), must
vanish at : = c, from which
tan o
|
(/) =
,
|
(/c)
:
|
(/c)
.
In the low-energy limit, /c 1.
tano
|
(/) =
(/c)
|
(2| + 1)!!
,
(2| 1)!!
(/c)
|+1
=
(/c)
2|+1
(2| + 1)!!(2| 1)!!
.
Hence |tan o
|
(/)| quickly decreases as | increases. As a result, the low-energy scattering
is always dominated by the s-wave. Since ,
0
(j) = sin j,j and :
0
(j) = cos j,j, we
have
o
0
= /c.
So the cross section is
o
0
= 4:c
2
.
At high energies (/c 0), we nd
o
|
=
|:
2
/c
so that
o
tct

4:
/
2
|max
X
|=0
(2| + 1) sin
2
(
2:
2
/c)
2:c
2
.
It is interesting to compare this result with that obtained from classical mechanics.
287
B 6.4.3 Identical Particles and Scattering
Collisions between identical particles are particularly interesting as a direct illustration
of the fundamental dierences between classical and quantum mechanics. In the polar
coordinate, the two directions are opposite, (o. c) and (: o. c +:)
The wave functions
c
I
(r) = c
iIa
+,(o)
c
iIv
:
c
I
(r) = c
iIa
+,(: o)
c
iIv
:
Symmetric or anti-symmetric:
S
= c
I
(r) +c
I
(r)
= c
I
(r) c
I
(r)
Classical case
The dierential cross-section is
o(o. o) = |,(o. c)|
2
+|,(: o. c +:)|
2
Scattering of two identical spinless bosons
o(o. o) = |,(o. c) +,(: o. c +:)|
2
Scattering of two identical spin-1/2 fermions
288
For spin 1/2 fermions, the wave functions contains two parts, spin and spatial
part. For spins, two spins can form one spin singlet o = 0 (antisymmetric), and one
spin triplet o = 1 (symmetric). The total wave function should be antisymmetric. Thus
one part of the wave function is symmetric and another part must be antisymmetric.
o(o. o) =
1
4
|,(o. c) +,(: o. c +:)|
2
+
3
4
|,(o. c) ,(: o. c +:)|
2
A 6.5 Applications to interactions with the classical
eld
We apply the formalism of time dependent perturbation theory to the interactions of
atomic electrons with the classical radiation eld.
B 6.5.1 Absorption and stimulation emission
Consider an electron in an electromagnetic eld,
H =
1
2:
c
(p
c
c
A)
2
+cc(r)
=
1
2:
c
p
2
+cc(r)
c
:
c
c
A p
289
where the term A
2
is omitted and the symmetric gauge is taken, A = 0. For a
monochromatic eld of a plane wave,
A = 2
0
cos(
.
c
n x .t)
where n = 0.We write
A =
0
[exp(
.
c
n x .t) + exp(
.
c
n x +.t)
The perturbation term is
\ =
c
:
c
c
A p
=
c
0
:
c
c
p
c
.
c
nx.t
+c
.
c
nx+.t
where the rst term is responsible for absorption, and the second term is for stimulated
emission.
In the case of absorption,
\
ai
=
c
0
:
c
c
h:| (c
.
c
nx.t
p) |ii
and the transition rate is given by "the Fermi Golden rule"
n
ia
=
2:
~
c
2
2
0
:
2
c
c
2
h:| c
.
c
nx.t
p|ii
2
o(1
a
1
i
~.)
The absorption cross section is
o
obc
=
(Energy/unit time)absorbed by the atom (i n)
Energy ux of the radiation eld
290
The energy ux of an electromgnatic eld is given by the Poynting vector,
o =
c
4:
(EH)
with E =
1
c
JA,Jt and B = A.
1
2
.
2
c
|
0
|
2
o
obc
=
~.n
ia
1
2
.
2
c
|
0
|
2
=
4:
2
~
:
2
c
.
(
c
2
~c
)
h:| c
i
.
c
nx.t
p|ii
2
o(1
a
1
i
~.)
B 6.5.2 Electric dipole approximation
Assume ~. is of order of the atomic energy levels, so
~.
2c
2
c
0
,2
'
2c
2
1
otcn
This leads to
c
.
= `
c~1
otcn
2c
2
= 137
1
otcn
2
.
Then 1
otcn
,` 2,137 1 for light atams. In this case, it becomes a good approxi-
mations
c
i
.
c
nx
= 1 +i
.
c
n x +
h:| c
i
.
c
nx.t
p|ii h:| p|ii
Using the Heisenberg equation of motion,
[r. H
0
] =
i~j
a
:
291
h:| p|ii =
:
i~
h:| [x. H
0
] |ii =
h:| c
i
.
c
nx.t
p|ii i:.
ai
h:| x|ii
This is called the electric dipole approximation. In this approximation,
o
obc
= 4:
2
c.
ai
|h:| x|ii|
2
o(. .
ai
)
B 6.5.3 Photoelectric eect
The photoelectric eectis the ejection of an electro when the atom is placed in the
radiation eld. The basic process is considered to be the transition from an atomic
bound state to a continuum state (1 0). Therefore, |ii the ket for an atomic state,
say, the ground state of hydrogen atom, while |:i is the ket for a continuum state say
a plane wave state |k
)
i .
The basic task in this calculation is the to calculate the number o` of the
nal state near the energy 1 and 1 +o1, or the density of state
j(1) = lim
c10
o`
o1
.
Consider a cubic box of side 1
3
. The plane wave has the form,
hx|k
)
i =
c
ik
]
x
1
32
where
/
a
= 2::
a
,1
292
The energy
1 =
~
2
/
2
2:
c
=
~
2
(2:)
2
2:
c
1
2
(:
2
a
+:
2
j
+:
2
:
)
o` = :
2
d:d
= :
2
d:
d1
d1d
j(1) = :
2
d:
d1d
=

1
2:
3
:
c
~
2
/ =

1
2:
3
:
c
~
2
(2:
c
1,~
2
)
12
So the dierential cross section becomes
o
obc
=
4:
2
c~
:
2
c
.
hk
)
| c
.
c
nx.t
p|ii
1
2:
3
:
c
~
2
/
The initial state is taken to be a ground state of hydrogen-like wave function except
that the Bohr radius c
0
is replaced by c
0
,2.
hk
)
| c
.
c
nx.t
p|ii =
Z
dxhk
)
| ri c
.
c
nx.t
(i~) hr |ii
=
Z
dx
c
ik
]
x
1
32
c
.
c
nx.t
(i~)
"
c
Zvo
0
2
c
0
32
#
In this integral, notice that c
.
c
nx.t
= 0
hk
)
| c
.
c
nx.t
p|ii =
Z
dx
i~c
ik
]
x
1
32
c
.
c
nx.t
"
c
Zvo
0
2
c
0
32
#
=
Z
dx
~( k
)
) c
ik
]
x
1
32
c
.
c
nx.t
"
c
Zvo
0
2
c
0
32
#
293
For th hydrogen atom,
do
obc
d
= 32c
2
/
)
( /
)
)
2
:c.
2
5
c
5
0
1
[(2,c
0
)
2
+
2
]
4
where q = k
)
(.,c)n
A 6.6 Approximate Collision Theory
See Sakurais book: section 7.1, 7.2, and 7.3
B 6.6.1 The Lippman-Schwinger Equation
Let us begin with the time-independent formulation of scattering processes. The Hamil-
tonian is written as
H = H
0
+\ =
1
2
2:
+\.
H
0
stands for the kninetic energy. In the collision theory, the source of incident particles
and the detection location of the scattered particles are very far away fromthe scattering
center. H
0
can describe the behaviors of incident and reected particle very well as the
potential approaches to zero when the distance is much larger than the interaction
distance. We have two Schrodinger equations in the absence and presence of \ :
H
0
|ci = 1|ci
(H
0
+\ ) |i = 1|i
294
When \ 0. |i |ci . We assume the two equations have the same energy eigen-
value. Combining the two equations
(1 H
0
) |i = \ |i + (1 H
0
) |ci
If (1 H
0
)
1
exist, we have
|i = (1 H
0
)
1
\ |i +|ci
Unfortunately, the operator (1 H
0
)
1
is singular. To avoid the diculty, we introduce
an innitesmal complex i ( 0
+
) such that 1 1 + i. In this way the equation
becomes
(+)
= |ci +
1
1 H
0
+i
\

(+)
(6.4)
In the position space, Eq.(6.4) is reduced to
hx

(+)
= hx |ci +
Z
dx
0
hx|
1
1 H
0
+i
|x
0
i hx
0
| \

(+)
= hx |ci +
2:
~
2
Z
dx
0
G
+
(x. x
0
) hx
0
| \

(+)
295
We evaluate the kernel of integral G(x. x
0
).
G
+
(x. x
0
)
~
2
2:
hx|
1
1 H
0
+i
|x
0
i
=
~
2
2:
Z
dphx| pi hp|
1
1 H
0
+i
|pi hp |x
0
i
=
~
2
2:
Z
dphx| pi hp|
1
1 j
2
,2:+i
|pi hp |x
0
i
=
~
2
2:
Z
dphx| pi
1
1 j
2
,2:+i
hp |x
0
i
=
~
2
2:
Z
dp
(2:~)
3
exp[ip (x x
0
),~]
1 j
2
,2:+i
where we have used
hx| pi = (2:~)
32
exp[ip x,~] (6.5)
hp| xi = (2:~)
32
exp[ip x,~].
Take 1 = ~
2
/
2
,2: and j = ~.
G
+
(x. x
0
) =
Z
dq
(2:)
3
exp[iq (x x
0
)]
/
2
2
+i
=
Z

0
2
d
(2:)
3
Z
2
0
dc
Z

0
sin odo
exp[i |x x
0
| cos o]
/
2
2
+i
=
i
4:
2
|x x
0
|
Z
+
0
d
exp[i |x x
0
|] exp[i |x x
0
|]
/
2
2
+i
=
1
4:
exp[i/ |r r
0
|]
|r r
0
|
296
In the last step we used the residue theorem:
I
d.
. .
0
= 2:i
I
c
,(.)d. = 2:i
X
c
1:
.
= 2:i (sum of enclosed residues).
The two pole points are
=
/
2
+i = (/ +i).
For = +(/ +i).
exp[i |x x
0
|] = exp[i/ |x x
0
| |x x
0
|] 0
as |x x
0
| +. While for = (/ +i).
exp[i |x x
0
|] = exp[i/ |x x
0
| |x x
0
|] 0
as |x x
0
| +. We need to select dierent paths in the rst and second term.
The equation becomes
hx

(+)
= hx |ci
2:
~
2
Z
dr
0
c
+iI|xx
0
|
|x x
0
|
hx
0
| \

(+)
.
Assume that \ is a local potential,
hx
0
| \ |x
00
i = \ (r
0
)o(x
0
x
00
)
hx

(+)
= hx |ci
2:
~
2
Z
dr
0
c
+iI|xx
0
|
|x x
0
|
\ (r
0
) hx
0

(+)
.
297
Figure 6.4:
As the observation point is far away from the scatterer,
|x| = : |x
0
| = :
0
|x x
0
| = (:
2
2::
0
cos c +:
02
)
12
= :(1
:
0
:
cos c +....)
From this approximation and taking k
0
= /x, |x| .we have
c
+iI|xx
0
|
|x x
0
|

c
iIv
:
c
ik
0
r
0
.
So,
hx

(+)
hx |ci
2:
~
2
c
iIv
:
Z
dx0c
ik
0
r
0
\ (r
0
) hx
0

(+)
.
Comparing with the asymptotic form of the wave function,
hx

(+)
1
(2:)
32
c
ikr
+
c
iIv
:
,(k
0
. k)
298
We have
,(k
0
. k) =
4::
2
~
2
Z
dx
0
exp[ik
0
x
0
]
(2:)
32
\ (x
0
) hx
0
|
(+)
=
4::
2
~
2
hk
0
| \

(+)
Similarly, change i i,
hx

()
1
(2:)
32
c
ikr
+
c
iIv
:
,(k
0
. k)
From this result we have the dierential cross section

do
d
= |,(k
0
. k)|
2
B 6.6.2 The Born Approximation
The formula contains the unknown wave function. We have to introduce the approxi-
mation.
(+)
= |ci +
1
1 H
0
+i
\

(+)
= |ci +
1
1 H
0
+i
\

|ci +
1
1 H
0
+i
\

(+)
= |ci +
1
1 H
0
+i
\ |ci +.....
Assume the eect of the scattering is not very strong, we replace hx
0
|
(+)
by hx
0
| ci
in the integral,
hx
0
|
(+)
hx
0
| ci = exp[ik x
0
].
299
This is the rst-order Born approximation. The amplitude is
,(/
0
. /) =
4::
2
~
2
1
(2:)
3
Z
dx
0
c
i(kk
0
)x
0
\ (x
0
)
which is the Fourier transform of the potential except for a constant.
For a spherical symmetric potential, assume |k k
0
| = = 2/ sin o,2. (|k| =
|k
0
| as the energy is conserved.)
, =
1
4:
2:
~
2
Z
2
0
d::
2
Z
2
0
dc
Z

0
sin odoc
iqv cos 0
\ (:)
=
2:
~
2
Z
+
0
d::\ (:) sin :
B 6.6.3 The higher-order Born approximation
Dene
\

(+)
= 1 |ci
we have
1 |ci = \

(+)
= \ |ci +\
1
1 H
0
+i
1 |ci
1 = \ +\
1
1 H
0
+i
1
= \ +\
1
1 H
0
+i
\
+\
1
1 H
0
+i
\
1
1 H
0
+i
\ +
300
The scattering amplitude can be written as
,(k
0
. k) =
1
4:
2:
~
2
(2:)
3
hk|1|k
0
i
B 6.6.4 Optical Theorem
Im,(o = 0) =
/
4:
o
tct
where ,(o) = ,(k. k). and o
tct
=
R
oo
o
d =
R
|,(k
0
. k)|
2
d.
G Proof.
,(o = 0) = ,(/. /) =
1
4:
2:
~
2
(2:)
2
hk|1|ki
Imhk|1|ki = Im
k|\ |
(+)
= Im
(+)
(+)
\
1
1 H
0
i
(+)
Use the relation,

1
1 H
0
i
= 1
1
1 H
0
+i:o(1 H
0
)
301
Imhk|1|ki = Im
(+)
\ i:o(1 H
0
)\

(+)
= :
(+)
\ o(1 H
0
)\

(+)
= :
Z
dk
0
(+)
\ |k
0
i hk
0
| o(1 H
0
) |k
0
i hk
0
| \

(+)
= :
Z
dk
0
(+)
\ |k
0
i hk
0
| \

(+)
o(1
~
2
/
02
2:
)
= :
Z
/
02
d/
0
d
0
(+)
\ |k
0
i hk
0
| \

(+)
o(1
~
2
/
02
2:
)
= :
Z
d
0
(+)
\ |k
0
i hk
0
| \

(+)
/
02
2:
~
2
1
2/
0
At the last step we take /
0
=
p
2:1,~
2
.
Imhk|1|ki = :
:/
0
~
2
Z
d
0
(+)
\ |k
0
i
2
B 6.6.5 Application: from Yukawa potential to Coloumb poten-
tial
As an illustration of the Born approximation, we consider the Yukawa potential
l(:) = l
0
c
jv
j:
,(k
0
. k) =
Z
d:l(:)
: sin:
= l
0
1
2
+j
2
302
where
= |k
0
k|
Z
d::\ (:) sin: =
l
0
j
Z
+
0
d:c
jv
sin :
=
l
0
j
Z
+
0
d:c
jv
c
iqv
c
iqv
2i
=
l
0
i2j
1
j i

1
j +i
=
l
0
2
+j
2
.
So the dierential cross section is
o(o) =

2:l
0
j~
2
1
[2/
2
(1 cos o) +j
2
]
.
When j = 0, the Yukawa potential is reduced to the Coloumb potential, l
0
,j 22
0
c
2
.
We obtain
o(o) =
(2:22
0
c
2
)
2
~
4
1
16/
4
sin
4 0
2
=

22
0
c
2
1
2
1
16 sin
4 0
2
This is the Rutherford scattering cross section. From Rutherford formula we conclude
that the charge-charge interaction in atomic scale obey Coulomb law, i.e., 1,:. Actually
this formula does not contain the Planck constant, and can be drived from the classical
theory.
303
B 6.6.6 One-Dimensional Green Function
G
+
(x. x
0
) =
Z
+
dq
(2:)
3
exp[iq (x x
0
)]
/
2
2
+i
=
Z
+
d
(2:)
3
exp[i(r r
0
)]
/
2
2
+i
For r r
0
0.
G
+
(x. x
0
) =
Z
+
d
2:
exp[i(r r
0
)]
/
2
2
+i
=
Z
+
d
2:
exp[i(r r
0
)]
( / i,2/)( +/ +i,,2/)
=
1
2:
exp[i/(r r
0
)]
2/
2:i =
i
2/
exp[i/(r r
0
)]
For r r
0
< 0.
G
+
(x. x
0
) =
Z
+
d
2:
exp[i(r r
0
)]
/
2
2
+i
=
Z
+
d
2:
exp[i(r r
0
)]
( / i,2/)( +/ +i,,2/)
=
1
2:
exp[i/(r r
0
)]
2/
2:i =
i
2/
exp[i/(r r
0
)]
Thus
G
+
(x. x
0
) =
i
2/
exp(i/ |r r
0
|) .
304
CN Chapter 7
CT Selected Topics
A 7.1 Relativistic Quantum Mechanics
I shall briey introduce the Dirac equation. Because of extensive interests in spintronics
and graphene, I shall focus on the spin-orbit coupling (electric manipulation of electron
spin) and graphene (2D massless Dirac particles)
B 7.1.1 The Schrodinger Equation
i~J
t
= H
305
where H =
1
2
2n
+\ .
1 H i~J
t
1 i~
[r. j] = i~
The continuity equation:
J
t
j + , = 0
where
j =
, =
i~
2:
(
) = Re(
)
In special theory of relativity, Einsteins relation between energy and mass
tells us that
1
2
= :
2
c
4
+c
2
j
2
.
In a similar way, we may have the Klein-Gorden Equation
~
2
J
2
t
= (:
2
c
4
c
2
~
2
2
)
For a plane-wave solution,
= exp[i(j r 1t),~]
306
1 =
p
:
2
c
4
+c
2
j
2
The continuity equation
J
t
j + , = 0
where
j =
i~
2:c
2
[
J
t
J
t
]
, =
i~
2:
(
)
Diculties:
1. Negative energy
2. Negative probability
Spectrum of Hydrgen atom
(1 \ (:))
2
= (:
2
c
4
c
2
~
2
2
)
B 7.1.2 Dirac Equation
Dirac wrote a linear equation
H = cc j +:c
2
,
and required that
H
2
= (cc j +:c
2
,)
2
= j
2
c
2
+:
2
c
4
307
As a result,
c
i
c
)
+c
)
c
i
= 2o
i)
c
i
, +,c
i
= 0
,
2
= 1
In 2D, we have
c
a
= o
a
c
j
= o
j
, = o
:
In 3D, Dirac realized that c and , should be at least 44 matrices. One representation
is
c
i
=
0 o
i
o
i
0
= o
i
o
a
, =
1 0
0 1
= 1 o
:
(= o
0
o
:
)
In this way we have a linear Dirac equation,
i~J
t
= (cc j +:c
2
,)
308
Its Hermitian conjugate is
i~J
t
(+ci~ c
+:c
2
,
)
we have the continuity equation with
j =
, = c
c
The velocity operator
a
=
1
i~
[r. H] = cc
a
The plane wave solution
(r. t) = ,exp[i(j r 1t),~]
(cc j +:c
2
,), = 1,
Since c and , are 4 4 matrices,
, =
,
1
,
2
,
3
,
4
,
0
309
The Dirac equation is reduced into
(1 :c
2
),
0
co j
0
= 0
co j,
0
+ (1 +:c
2
)
0
= 0
The solution is
1
A
= `
p
c
2
j
2
+:
2
c
4
=
p
c
2
j
2
+:
2
c
4
0
=
co j
1
A
+:c
2
,
0
and
,
+
= `
+
,
0
coj
c
2
j
2
+n
2
c
4
+nc
2
,
0
= `
coj
c
2
j
2
+n
2
c
4
nc
2
The rest energy of electron :c

2
= 0.51099906 MeV = 0.51 10
6
c\.The electron energy
in solids is at most about several eV it would be a good approximation in a non-
relativistic limit
,
+
= `
+
,
0
0
for the positive energy

310
,
= `
for the negative energy.

B 7.1.3 Spin of Dirac particles
The orbital angular momentum
L = r p
[1
i
. H] = i~(c j)
i
We need to introduce another operator in dene J
J = 1 +i~ = r p+i~
o 0
0 o
such that
[J. H] = 0
Thus the Dirac theory introduce a spin operator
o = i~ = i~
o 0
0 o
311
B 7.1.4 The Zeeman coupling
Starting with an electron in an electromagnetic eld,
[cc (j
c
c
) +:c
2
, +\ ],(r) = 1,(r)
Denote ,(r) =
c(r)
(r)
(1 \ :c
2
)c = co (j
c
c
)
(1 \ +:c
2
) = co (j
c
c
)c
(1 \ :c
2
)c = co (j
c
c
)
1
1 \ +:c
2
cc (j
c
c
)c
In the non-relativistic limit,
1 = 1
aca
+:c
2
1
aca
(1
aca
\ )c = cc (j
c
c
)
1
1
aca
\ + 2:c
2
cc (j
c
c
)c
1
2:
h
o (j
c
c
)
i
2
c
312
(o A) (o B) =
X
i,)
o
i
o
)
i
1
)
=
X
i,)
(o
i)
+ic
i)I
o
I
)
i
1
)
= A B+io (AB)
h
o (j
c
c
)
i
2
= (j
c
c
)
2
+
c~
c
o ()
The nal results
1
aca
c =
1
2:
(j
c
c
)
2
+\ +
c~
2:c
o 1
c
B 7.1.5 Exact solution in Coloumb potential: Hydrogen atom
cc j +,:c
2
+\ (:)
= 1
1
a)
=
:c
2
"
1 +
Z
2
c
2
h
a+12+
()+12)
2
Z
2
c
2
i
2
#
12
where \ (:) = 2c
2
,: and c is the ne structure constant.
B 7.1.6 Spin-orbit coupling
Higher order approximation:
313
(1
aca
\ )c = co (j
c
c
)
1
1
aca
\ + 2:c
2
co (j
c
c
)c
(1
aca
\ )c = co (j
c
c
)
1
2:c
2
\
co (j
c
c
)c
(1
aca
\ )c =
1
2:c
2
co (j
c
c
)(1
1
aca
\
2:c
2
)co (j
c
c
)c
=
1
2:
h
o (j
c
c
)
i
2
c
+
1
4:
2
c
2
h
o (j
c
c
)
i
(\ 1
aca
)
h
o (j
c
c
)
i
c
h
o (j
c
c
)
i
2
= (j
c
c
)
2
+
c~
c
o ()
h
o (j
c
c
)
i
\
h
c (j
c
c
)
i
= ~o (\ j) +
Final results
1
aca
c =

1
2:
(j
c
c
)
2
+\ +
c~
2:c
o 1
c
+
~
4:
2
c
2
o (\ p)c +
Spin-orbit coupling or LS coupling
314
In a rotational invariant potential
H
1S
=
~
4:
2
c
2
o (\ p)
=
~
4:
2
c
2
1
:
d\
d:
o (r p) =
1
2:
2
c
2
1
:
d\
d:
S L
B 7.1.7 Spin-orbital coupling and spintronics
Spin-orbit coupling from the classic point of view
In a 2D plane with \ = c1z
H
1ocIbo
= `(o p)
:
= `(o
a
j
j
o
j
j
a
)
B 7.1.8 Spin transverse force
Spin transverse force on spin current in electric eld, Shun-Qing Shen, Physical Review
Letters 95, 187203 (2005)
The two-dimensional electron gas with Rashba spin-orbit coupling is described
by an eective Hamiltonian
H =
1
2:
(j
2
a
+j
2
j
) +`(o
a
j
j
o
j
j
a
)
From the Heisenberg equation of motion, the velocity operator is
a
=
1
i~
[r. H] =
j
a
:
ò
j
315
The "acceleration" is
d
a
dt
=
1
i~
[
a
. H] =
2`
2
~
j
j
o
:
The "force"
1
a
= :
d
a
dt
= 2:
`
2
~
j
j
o
:
= 4:
2
`
2
~
2
~
4
{
j
. o
:
} = 4:
2
`
2
~
2
J
:
j
where J
:
j
=
~
4
{
j
. o
:
} is the spin current
B 7.1.9 Spin-orbit coupling and Datta-Das eld-eect transistor
Theorectical proposal
Electronic analog of the electro-optic modulator, S. Datta, B. Das, Appl.
Phys. Lett. 56, 665 (1990). doi:10.1063/1.102730
Experimental realization of Datta-Das eld-eect transistor
Control of Spin Precession in a Spin-Injected Field Eect Transistor, Hyun
Cheo Koo, Jae Hyun Kwon, Jonghwa Eom, Joonyeon Chang, Suk Hee Han and Mark
Johnson, Science 325, 1515-1518 (2009)
B 7.1.10 Graphene: 2D massless Dirac quasi-particles
Model for graphene: a monolayer of carbon atoms
316
Figure 7.1:
317
Figure 7.2:
318
Figure 7.3:
319
Figure 7.4:
320
C Graphene and massless Dirac particles
Graphenea monolayer of carbon atoms packed into a honeycomb lattice, is one of
the most intriguing systems in solid state physics today. The most popular description
of graphene band structure is the tight binding one, rst done by Wallace. The band
structure exhibits very unique features: the rst two bands do not have a gap between
them, and do not overlap either. In fact they intersect in two inequivalent points,
called Dirac points in the rst BZ. resulting in four degenerate modes. The vicinity
of the dirac points is not parabolic (as in most crystals) but in fact conical. Hence,
the group velocity
j

k
E(
/) is independent of the energy. The Fermi level for

undoped graphene lies exactly at the intersection points, and graphene is a gapless
semiconductor. Since the dispersion curve resembles that of ultra-relativeistic particles,
one can write a relativistic dynamic equation for the excitations. Such equation can be
derived from the tight binding model, and the resulting equations are infact the well
known Dirac equation for massless particles.
c = c
3.
c being the bond length. We shall took c = 1, then
c
1
= (
3,2. +1,2).
c
2
= (
3,2. 1,2)
321
Unit cell area is: = c
2
sin(:,3) =
3,2.
Fig.: (a) Graphene hexagonal lattice constructed as a superposition of two
triangular lattices A and B, with basis vectors a
i
for lattice A and vectors
i
with
i = 1. 2. 3 connecting A to B. (b) the green hexagon is a Brillouin zone (BZ) and pink
diamond is the extended BZ for the honeycomb lattice. The reciprocal lattice vectors
are b
i
.
Reciprocal lattice:
q
1
= 2:
c
2
.
= 2:(1,
3. 1)
q
2
= 2:
c
1
.
= 2:(1,
3. 1)
The tight binding Hamiltonian in the nearest neighbors approximation is
H
0
= t
X
n,
.
c
n
/
n+
.
+/
n+
.
c
n
. (7.1)
t the hopping parameter, c
n
, /
n+
.
are annihilation operators corresponding A, B sub-
lattices, and suppressing the spin degree of freedom which is irrelevant for optics. The
above Hamiltonian can be written as
H
0
= t
X
n,
.
n
. /
n+
.
0 1
1 0
c
n
/
n+
.
(7.2)
It is possible to diagonalize the Hamiltonian at this point. However, one can
gain some more insight on the excitations in Fourier space. Expanding the operators
322
(`
2
is the number of primitive unit cells, the lattice is ` `)
c
a
=
1
`
X
k
c
ika
c(k). (7.3)
/
a+
.
=
1
`
X
k
c
ik(a+
.
)
/(k) (7.4)
and plugging it into Eq. (7.1)
X
n,
.
/
n+
.
c
n
=
1
`
2
X
k
X
q
X
n,
.
c
i(kq)n
c
iq
.
/(q)
c(k)
=
X
k
/(k)
c(k)
X
.
c
ik
.
X
k
/(k)
c(k),(k) (7.5)
Performing the summation and plugging the results into (7.1) we obtain
H
0
=
X
k
(k)H
0
(k).
(k) =

c(k)
. /(k)
. (7.6)
H
0
(k) =
0 ,
(k)
,(k) 0
(7.7)
where
,(k) = t
c
iIio
3
+ 2c
iIio(2
3)
cos
/
j
c
2
(7.8)
= tc
iI
i
o
1 + 2c
i
Iia
3
2
cos
/
j
c
2
. (7.9)
Note that diagonalizing H
0
, also diagonalize H
0
. The energy bands are ob-
tained by the eigenvalues
E(k) = |,(k)| = t
v
u
u
t
1 + 4 cos
2
/
j
c
2
+ 4 cos
/
j
c
2
cos
3/
a
c
2
!
. (7.10)
323
which vanish at six Kpoints 2:,c(1,
3. 1,3), 2:,c(0. 2,3) and 2:,c(1,
3. 1,3).
One can show that these points are connected by reciprocal lattice vectors, and only
two are inequivalent, denoted by K
+
, K
. One can nd the points by requiring , = 0.

For this c
iI
i
o
32
must be real, so /
a
= 0. Then /
j
c = 2:,3c.
Alternatively, c
iIio
3
= 1, /
a
= 2:
3c and /
j
= 2:,3c.
Expanding E(k) around e.g. 2:,c(0. 2,3) we get
, = tc
3,2(ij
a
j
j
) (7.11)
Expanding E(k) around these points we obtain
E(p) = ~
1
|p| .
1
=
3tc
2~
. (7.12)
and p measured from the K
points.
One can cast the spectrum in the vicinity of the K
points in the manifestly

relativistic way. For this let us turn the coordinate axes by 90
so that r
0
and
r
0
. Then, Eq. 7.11 will look like
, = tc
3,2(ij
j
0 j
a
0 ) (7.13)
The Hamiltonian in the vicinity of K
then becomes
H
0
(K
+p) = tc
3,2
0 j
a
0 +ij
j
0
j
a
0 ij
j
0 0
(7.14)
=
1
(o
a
j
a
0 +o
j
j
j
0 ) (7.15)
In the graphene, the eective velocity is about c/300 where c is the speed of light
324
C Solution in a magnetic eld and quantum Hall eect
In a magnetic eld, we introduce a vector potential = (1. 0) such that
j
a
j
a
c
c
a
~/
a
c
c
1
j
j
j
j
c
c
j
i~J
j
For H(1
+
+j)
H(j) =
1
0 ~/
a
c
c
1 +~J
j
~/
a
c
c
1 ~J
j
0
The communtator
[~/
a
c
c
1 +~J
j
. ~/
a
c
c
1 ~J
j
] = [
c
c
1. ~J
j
] + [~J
j
.
c
c
1]
= 2
~c
c
1 = 2~
2
,|
2
1
0
c =
|
1
2~
(~/
a
c
c
1 +~J
j
)
c
=
|
1
2~
(~/
a
c
c
1 ~J
j
)
H(j) =
2
~
1
|
1
0 c
c
= c
0
0 c
c
325
with [c. c
] = 1. In this way, the stationary Schrodinger equation is reduced to

c
0
0 c
c
= 1
c
0
c = 1,
c
0
c
, = 1
(c
0
c
)c
0
c = (c
0
c
)1, = 1
2
(c
0
)
2
c
c = 1
2
c |:i = :|:i
a,A
= h|:i
1
a,A
= `c
0
:
,
a,A
=
c
0
1
a,A
h|c|:i =
c
0
1
a,A
:h|: 1i = `h|: 1i
For : = 0, ,
a=0,A
= 0.
B 7.1.11 Topological Insulator and Dirac particels
Certain insulators have exotic metallic states surrounding arround the boundary or
surfaces. These states are formed by the strong spin-orbital coupling as a result of
326
topological eect that the motion of electrons is insensitive to scattering of inpurities.
The electrons in the surface states are well described by an eective Hamiltonoan of
two-component massless Dirac particle.
H =
1
p o =
1
(j
a
o
a
+j
j
o
j
)
This system is dierent from graphene: there are double spin degeneracy and double
valley degeneracy of Dirac cone in graphene. The surface states in topological insulator
is a single Dirac cone.
The topological insulator was predicted theoretically, and conrmed experi-
menatlly. Several families of topological insulator have been discovered. The materials
may provide new route to generate novel particles and quantum states and to explore
application in spintronic device and quantum computing.
A 7.2 Quantum Statistics
Quantum statistical mechanics is the branch of physics dealing with systems in mixed
states; it is the quantum analogue of classical statistical mechanics. It should be noted
that statistics enters at two levels in quantum statistical mechanics: rst, because of
the statistical interpretation of the wave function and second, because of our incomplete
knowledge of dynamical state of the system.
327
B 7.2.1 Density Operator and Ensembles
Question: How to describe quantum mechanically an ensemble of physical systems
for which, say .
c
= 60 are characterized by |ci and the remaining .
o
= 40 are
characterized by some other ket |,i .
Example: a general state for S=1/2 system
|ci = c
+
|+i +c
|i
which characterizes a state ket whose spin is pointing some denite direction. We
should not confuse the probability weight of the states |+i and |i , .
. and |c
|
2
.
Ensemble average and density operator.
Pure ensemble: |ci
Mixed ensembles:
.
1
c
(1)
.
2
c
(2)
.
3
c
(3)
.
.
.
.
.
.
with the normalization condition
X
i
.
i
= 1.
328
The ensemble average
hi =
X
i
.
i
hc
i
|| c
i
i
=
X
i
.
i
X
a
hc
i
| :i h:| | c
i
i
=
X
i,a
.
i
|h:|c
i
i|
2
c
a
Alternatively,
hi =
X
i,a
.
i
h:|c
i
i hc
i
|:i h:|| :i
=
X
a
h:|
X
i
{.
i
|c
i
i hc
i
| } |:i
= 1:(j)
where
j =
X
i
.
i
|c
i
i hc
i
| .
j is the density matrix operator and is independent of representation.
Two properties:
(a). j is Hermitian;
(b). j satises the normalization condition.
1:(j) = 1.
A pure ensemble: .
a
= 1 for some |c
a
i
j = |c
a
i hc
a
|
329
which is just a projection operator.
Several examples of density operator:
(1) A completely polarized beam with S
:
+
j = |+i h+| =
1
0
1 0
1 0
0 0
(2) A completely polarized beam with S

a
+
j = |o
a
. +i ho
a
. +|
=
1
2
12
(|+i +|i)
1
2
12
(h+| +h|)
=
1
2
1
2
1
2
1
2
(3) A partially polarized beam with 75 S

:
+ and 25 S
a
+
j = 0.75 |+i h+| + 0.25 |o
a
. +i ho
a
. +|
=
1
8
7 1
1 1
B 7.2.2 Quantum Statistical Mechanism

Order and Disorder
330
The density matrix of a pure ensemble
j =
0
.
.
.
1
.
.
.
0
The density matrix of a completely random ensemble

j =
1
.
1
.
.
.
.
1
.
We dene a quantity
o = t: (j ln j)
=
X
a
j
aa
ln j
aa
For a pure ensemble
o = 0
For a completely random ensemble
o = ln`
331
This quantity is related to the entropy in thermodynamics,
o = /t: (j ln j)
where k is the Boltzmann constant.
Basic assumption: Nature tends to maximize o subject to the constraint that
the ensemble average of the Hamiltonian has a certain value.
To minimize o:
oo = 0
i.e.,
oj
aa
(ln j
aa
+ 1) = 0
with the conditions
(a). hHi = n = t:(jH)
(b). t:j = 1
we obtain
oj
aa
[(lnj
aa
+ 1) +,1
a
+] = 0
j
aa
= c
o1
I
=
1
P
a
c
o1n
c
o1
I
332
The partition function:
2 =
X
a
c
o1n
= t:(c
o1
)
Thus the density matrix operator is
j =
1
2
c
o1
The parameter , is related to the temperature T as follows
, = 1,/1
Example: Spin-1/2 particle in a magnetic eld
Consider a spin-1/2 particle having a magnetic momentum
j = qj
1
o,~
subjected to a constant magnetic eld along the z-axis.
H = qj
1
o
:
,2 = .o
:
The density operator
j =
1
2
c
o1
=
1
Z
c
o.
0
0
1
Z
c
+o.
333
where
2 = c
o.
+c
o.
The average value of the z-component of spin at the temperature T is
ho
:
i =
~
2
c
o.
c
o.
c
o.
+c
o.
=
~
2
tanh(,.)
B 7.2.3 Quantum Statistics
Consider a system with two identical particles. Each particle has three non-degenerate
states: |1i . |2i . |3i with E
1
, E
2
, E
3
. For classical identical particles: there 9 possible
congurations
|1. 1i |1. 2i |1. 3i
|2. 1i |2. 2i |2. 3i
|3. 1i |3. 2i |3. 3i
The wave function is
=
1
.
(1)
1
(2)
334
For bosons: there are 6 possible congurations
|1. 1i . |2. 2i . |3. 3i
(|1. 2i +|2. 1i) ,2
12
(|1. 3i +|3. 1i) ,2
12
(|3. 2i +|2. 3i) ,2
12
The wave function
=
1
.
(1)
1
(2) +
1)
(1)
1
.
(2)
For fermions: there are 3 possible congurations
(|1. 2i |2. 1i) ,2
12
(|1. 3i |3. 1i) ,2
12
(|3. 2i |2. 3i) ,2
12
The wave function
=
1
.
(1)
1
(2)
1)
(1)
1
.
(2)
B 7.2.4 Systems of non-interaction particles
We shall now discuss the properties of systems of large numbers of non-interacting
objects which are equivalent and possess the same energy levels.
335
C Maxwell-Boltzmann Statistics
(Classical identical particles)
If E
)
(j=1, 2, ) denotes an energy level of one of the particles, the total
energy of the system E can be written
1 =
X
)
:
)
1
)
where the sum runs over all the eigenenergies of a single particle, and where n
)
is the
number of particles with the energy E
)
. The total number of particles is
` =
X
i
:
)
.
In a Maxwell-Boltzmann system, any number of particles can be in each level, so that
nj can either be zero or any positive integer. If all the energies Ej are dierent, each
permutation of the particles results in a dierent wave function, thus each energy level
of the total system is N!-fold degenerate. However if nj1, the interchange between
these particles do not alter the wave function. Thus the number of distinct states
corresponding to a given value of the total energy of the system is
q
A1
1
=
`!
Q
i
:
i
!
336
The partition function can be expressed as
2 =
X
{a
}
q
A1
1
exp(,
X
)
:
)
1
)
)
=
X
{a
}
`!
Q
i
:
i
!
exp(,
X
)
:
)
1
)
)
=
"
X
)
exp(,:
)
1
)
)
#
2
The average distribution is
h:
i
i =
1
2
X
{a
}
q
A1
1
exp(,
X
)
:
)
1
)
):
)
=
J ln 2
J,1
i
=
`
2
c
o1
.
= c
o1
.
c
C Bose-Einstein Statistics (for bosons)
The wave function of many bosons is symmetric and the energy level of the system is
non-degenerate
q
11
1
= 1. for any :
)
Here we use the grand canonical ensemble (` +)
h:
i
i =
1
2
X
{a
}
q
11
1
exp(,
X
)
:
)
1
)
c
X
)
:
)
):
)
337
where
2 =
X
{a
}
exp(,
X
)
:
)
1
)
c
X
)
:
)
)
=
Y
)
X
{a
}
exp(,:
)
1
)
c:
)
)
=
Y
)
(1 exp(,1
)
c))
1
In the case,
h:
)
i =
J ln 2
J,1
i
=
1
exp(,1
)
+c) 1
C Fermi-Dirac Statistics (for fermions)
The wave function of many bosons is antisymmetric, and the energy level of the system
is non-degenerate
q
11
1
= 1. for :
)
= 1 or 0
= 0. otherwise.
Here we use the grand canonical ensemble (` +)
h:
i
i =
1
2
X
{a
}
q
11
1
exp(,
X
)
:
)
1
)
c
X
)
:
)
):
)
338
where
2 =
X
{a
}
q
11
1
exp(,
X
)
:
)
1
)
c
X
)
:
)
)
=
Y
)
1
X
a
=0
exp(,:
)
1
)
c:
)
)
=
Y
)
(1 + exp(,1
)
c))
In the case,
h:
)
i =
J ln2
J,1
i
=
1
exp(,1
)
+c) + 1
B 7.2.5 Bose-Einstein Condensation
One of the main features of boson systemis that bosons tend to occupy the lowest energy
state at low temperatures. At high temperatures, both distribution laws for bosons and
for fermions become equal to that for the Maxwell-Boltzmann case approximately. The
density of particles on a certain state always tends to be zero. For a boson system, as
h:
)
i =
1
exp(,1
)
+c) 1
+
if both E and c are equal to zero, the density of the particle at E=0 can be nonzero in
the high density limit at low temperatures.
339
Consider a non-interacting boson gas in a three-dimensional system. The
spectrum of energy is
1 =
~
2
2:
/
2
The density of particle is
j = j
0
+
1
(2:)
3
Z
d/
3
:(1)
where j0 is the density of particles in the lowest energy state.
1
(2:)
3
Z
d/
3
:(1) =
Z
d11(1):(1)
where
1(1) =
1
4:
2
2:
~
2
32
1
12
This is the density of state at E.
j j
0
=
1
4:
2
2:
~
2
32
Z
+
0
d1
1
12
c
o1+c
1
=
1
4:
2
2:/1
~
2
32
,
12
(c)
where
,
12
(c) =
Z
+
0
dr
r
12
c
a+c
1
.
Since c 0. the largest possible values of ,
12
(c) occurs when c = 0 and numerically
,
12
(c = 0) = 2.315.
340
It follows;; that at 1 < 1
0
where
1
0
=
~
2
2:/
4:
2
j
2.315
23
the function (j j
0
),j becomes less than unit, and the system increasingly condensed
into the lowest energy state.
Bose-Einstein condensation was predicted by Albert Einstein and Satyendra
Nath Bose at 1924 to 25. It was rst observed in Helium-4 liquid. Recent years it was
observed in some systems with cooling atoms. It is one of the most active branches in
condensed matter physics. If you are interested in the recent development in this eld,
please visit Web site:
http://www.aip.org/pt/webwatch/ww9703.html.
B 7.2.6 Free fermion gas
The free particle Schrodinger equation in three dimensions is
~
2
2:
J
2
Jr
2
+
J
2
J
2
+
J
2
Jr
:2
I
(:) = c
I
I
(:)
341
If the particle are conned to a cube of edge L and we require the wave function to be
periodic in x, y, z direction with L, i.e.,
I
(r +1. . .) =
I
(r +1. . .)
I
(r. +1. .) =
I
(r. +1. .)
I
(r. . . +1) =
I
(r. . . +1)
the wave functions are
I
(:) =
1
(2:)
32
c
iIv
provided that the components of the wave vector k satises
/
a,j,:
= 0.
2:
1
.
4:
1
.
6:
1
.
Any component of k is of the form 2n:,1, where n is a positive integer. The energy
spectrum with n is
c
I
=
~
2
2:
/
2
a
+/
2
j
+/
2
:
As two indistinguishable fermions cannot have all their quantum numbers identical,
each energy level (or state) can be occupied by at most one particle. Thus we start
lling the energy level from that with the lowest energy (i.e., k=0 here) until all N
particles are accommodated.
The occupied energy levels may be represented as points inside a sphere in the
k-space. The energy at the surface of the sphere is the Fermi energy; the wave vectors
342
at the Fermi surface have a magnitude k
1
such that
c
1
=
~
2
2:
/
2
1
.
The total number of energy levels inside the sphere is
` =
1
(2:,1)
3
4:
3
/
3
1
Then
/
1
=

6:
2
`,\
13
.
In short, a boson gas condensates into the lowest energy state, and a fermion
gas forms a Fermi sphere in the k-space at absolute zero temperature.
A 7.3 Quantum Hall Eect
The quantum Hall eect is a remarkable phenomenon discovered experimentally in
1980s in which the Hall conductivity of a two-dimensional system of electrons is found
to have plateaus as a function of variables which determine the number of electrons
participating in the eect. The integer quantumHall eect was observed by von Klitzing
et al in 1980. Simple theory suggests that the Hall conductivity at he plateaus should
be an integral multiple of c
2
,~ and the experiments agree with that prediction to within
an accuracy of nearly 0.1 ppm. An application of great importance is to metrology, the
quantum Hall eect promises a method of providing very precise resistance standards
343
that are insensitive to the particular sample and the details of its fabrication. With
a more powerful magnetic eld and lower temperature, Daniel C. Tsui and Horst L.
Stormer discovered that the plateaus of the conductivity is a fractional multiples of the
basic unit c
2
,~. Within a year of their discovery, Rovert B. Laughlin has succeeded in
explaining their result. Through theoretical analysis he showed that the electrons in a
powerful magnetic eld can condense to form a kind of quantum uid related to the
quantum uids that occur in superconductivity and in liquid helium.
What makes these uids particularly important for researchers is that events
in a drop of quantum uid can aord more profound insights into the general inner
structure and dynamics of matter. The Royal Swedish Academy of Sciences awarded
The 1998 Nobel Prize in Physics jointly to Tsui, Stomer and Laughlin for their dis-
covery of a new form of quantum uid with fractionally charged excitations.
B 7.3.1 Hall Eect
The Hall eect occurs when the charge carriers moving through a material experience a
deection because of an applied magnetic eld. This deection results in a measurable
potential dierence across the side of the material which is transverse to the magnetic
eld and current direction.
344
In Figure, a voltage V drives a current I in the positive X direction. Normal
Ohmic resistance is V/I . A magnetic eld tin the positive z direction shifts positive
charge carriers in the negative y direction. This generates a Hall potential (\
1
,1) in
the y direction.
Quantitatively, Hall eect indicates that a transverse electric eld will be
produced. Charges will accumulate on the transverse edges until a strong enough
electric eld is developed to force remaining charges to continue undeected. The
condition is
1 =
\
o
c
1.
The drift velocity is given by
\
o
= J,:
c
=
i,
:c
345
where n is the density of charge carrier. The electric eld is
1 = \
1
,d
where l is the thickness of material and d the width. Hence we obtain an expression
for the density of charge carriers in a substance
: =
i
c

1
o
=
i1
\
1
|cc
Therefore this eect can be used to determine the density of charge carriers in conduc-
tors and semi-conductors, and has become a standard tool in physics laboratories over
all the world. The Hall conductivity
o = i,1
=
:cc
1

:
1
B 7.3.2 Quantum Hall Eect
In 1980 the German physicist Klaus von Klitzing discovered in a similar experiment that
the Hall resistance does not vary in linear fashion, but step-wise with the strength
of the magnetic eld. The steps occur at resistance values that do not depend on
the properties of the material but are given by a combination of fundamental physical
constants divided by an integer. We say that the resistance is quantized. At quantized
Hall resistance values, normal Ohmic resistance disappears and the material becomes
346
in a sense superconducting. For his discovery of what is termed the integer quantum
Hall eect von Klitzing was awarded the Nobel Prize in 1985.
In their rened experimental studies of the quantum Hall eect, using among
other things lower temperatures and more powerful magnetic eld, Stomer, Tsui and
their co-workers found to their great surprise a new step in the Hall resistance which
was three times higher than von Klitzings highest. They subsequently found more and
more new steps, both above and between the integers. All the new step heights can be
expressed with the same constant as earlier but now divided by dierent fractions. For
this reason the new discovery is named the fractional quantum Hall eect..
347
B 7.3.3 Laughlins Theory
A year after the discovery of the fractional quantum Hall eect, Laughlin oered a
theoretical explanation. According to his theory the low temperature and the powerful
magnetic eld compel the electron gas to condense to form a new type of quantum uid.
Since electrons are most reluctant to condense (They are what is termed fermions) they
rst, in a sense, combine with the ux quanta of magnetic eld. Particularly for the
rst step ( = 1,3) discovered by Stomer and Tsui, each of electrons captures three
ux quanta thus forming a kind of composite particle with no objection to condensing.
(They become what is termed bosons). Quantum uids have earlier occurred at very
348
low temperatures in liquid helium and in superconductors. They have certain properties
in common, e.g. superuidity, but they also show important dierences in behaviors.
Apart fromits superuidity which explains the disappearance of Ohmic resistance at the
Hall resistance steps the new quantum uid proposed by Laughlin has many unusual
properties. One of the most remarkable is that if one electron is added the uid will
be aected (excited) and a number of fractionally charged quasiparticles created.
These quasiparticles are not particles in the normal sense but a result of the common
dance of electrons in the quantum uid. Laughlin was the rst to demonstrate that
the quasiparticles have precisely the correct fractional charge to explain the fractional
quantum Hall eect. Subsequent measurements have demonstrated more and more
fractional charged steps in the Hall eect, and Laughlins quantum uid has proved
capable of explaining all the steps experimentally. The new quantum uid strongly
resists compression; it is said to be incompressible.
Further reading
1. B. Davis, Splitting the electron, New Scientist, 31 Jan, 1998, p36
2. G. P. Collins, Fractionally charged quasiparticles signal their presence with
noise, Physics Today, Nov,1997, p17,
3. S. Kivelson, D. H. Lee and S. C. Zhang, Electrons in atband, Scientic
American, March,1996, p64.
349
B 7.3.4 Charged particle in the presence of a magnetic eld
We consider a charged particle moving on a plane in the presence of a perpendicular
uniform magnetic eld B. The mass of the particle is M and charge e. The Hamiltonian
is
H =
1
2:
(1 +
c
c
)
2
=
1
2:
[(i~
J
Jr
+
c
c
a
)
2
+ (i~
J
J
+
c
c
j
)
2
]
The vector potential A, is such that its curl is equal to B:
1
:
= (A)
:
We will work in the isotropic gauge
A =
1
2
Br
i.e.
a
=
1
2
1
j
=
1
2
1r
In the gauge
H =
1
2:
(i~
J
Jr

c
2c
1)
2
+
1
2:
(i~
J
J
+
c
2c
1r)
2
350
Denote
a
= i~
J
Jr

c
2c
1
j
= i~
J
J
+
c
2c
1r
The commutator is constant,
[
a.
j
] = i
~c1
c
.
The Hamiltonian is expressed as
H =
1
2:
{(
j
i
a
)(
j
+
a
) +i[
a
.
j
]}
=
1
2:
[(
j
i
a
)(
j
+
a
) +
~c1
c
= ~
c1
`c
[c
+
c +
1
2
]
where
c
+
=

c
2~c1
12
(
j
i
a
)
=

c
2~c1
12
(i~
J
Jr
+
c1
2c
i i~
J
J
+
c1
2c
r)
= 2
12
(
J
J .
+
1
4
.)
c = 2
12
(+
J
J.
+
1
4
.)
where . = (r +i),|
0
and . = (r i),|
0
. The length unit |
0
= (~c,c1)
12
.
351
Hence the Hamiltonian is reduced to
H = ~.
c
(c
+
c +
1
2
)
where
.
c
=
c1
`c
.
c and c
+
satisfy [c. c
+
] = 1.
Comparing to the simple harmonic oscillator the motion of a charged particle
in a uniform magnetic eld is equivalent to it. A set of the wave function has the form
,
a
(.. .) = .
a
c
: :4
The energy eigenvalue is
1
a
= ~.
c
(: +
1
2
)
The wave functions are also eigenstates of angular momentum operator
1
:
= i~(r
J
J

J
Jr
)
= ~(.
J
J.
.
J
J .
).
with the eigenvalue
1
:
,
a
(.. .) = :~,
a
(.. .).
The energy level 1
a
is called :
tI
Landau level
352
The Landau levels have a huge degeneracy which is determined by
`
=
c
0
=
1
2:
~c
c
=

2:|
2
0
To make this degeneracy more apparent, we assume the system has the shape of a
square with dimension L. We introduce another pair of operators
/
+
= 2
12
(
J
J.

1
4
.)
/ = 2
12
(
J
J.

1
4
.)
([/. /
+
] = 1)
The two operators commute with H,
[/. H] = [/
+
. H] = 0.
Also , the operator / annihilates the wave function ,
a
(.. .), just like the operator c.
/,
a
(.. .) = 0
Dene
1 = exp[i2:|
0
/,1]
1 = exp[2:|
0
/
,1]
Thus, ,
a
is an engenstate of

1
1,
a
= ,
a
353
A complete set of eigenstates of the :t/ Landau level {,
a,n
}can be constructed (: =
1. ...`
)
,
a,n
(.. .) = 1
n
,
a
(.. .)
= exp[i2::|
0
/,1],
a
(.. .)
From the denitions of 1 and

1
11 = 1

1 exp[i2:|
0
/,1. 2:|
0
/
,1]
= exp[i2:,`
]1

1
Therefore the states ,
a,n
(.. .) have
H,
a,n
(:, :) = ~.(: +
1
2
),
a,n
(.. .)
1,
a,n
(:, :) = exp[i2::,`
],
a,n
(.. .)
B 7.3.5 Landau Level and Quantum Hall Eect
The degeneracy of the Landau energy levels is `
fold. The ratio of the number of

electrons to `
= `
c
,`
is called the lling number of Landau level. When = 1.it means that the rst Landau
level is fully lled and when = 2, the second landau level is also lled. There is a
354
simple relation between the lling number and the quantized Hall conductivity. Suppose
the total charge of the sample is
Q = `
c
The current J is then equal to
J = `
ci
i is determined by the magnetic eld B and electric eld E
i
c
=
1
1
So the current density j = J,d1
, =
`
c
d1
i =
i`
c
1d1
1c
=
i`
c
`

~c
c
1c =
c
2
~
1.
The Hall conductance is
o
aj
=
c
2
~
.
The integer quantum Hall eect occurs at = i:tcqc:, (1,2,...) and the
fractional Hall eect occurs at = ,:cctio:c|: 1/3, 1/5, 2/3, ...
A 7.4 Quantum Magnetism
Magnetism is inseparable from quantum mechanics, for a strictly classical system in
thermal equilibrium can display no magnetic momentum, even in a magnetic eld. The
355
magnetic momentum of a free atom has three principal sources: the spin with which
electrons are endowed, their orbital angular momentum about the nucleus; and the
change in the orbital moment induced by an applied magnetic eld.
Ordered arrangements of electron spins
356
B 7.4.1 Spin Exchange
Ferromagnetism is obtained in solids when the magnetic moments of many electrons
align. Antiferromagnetism and spin density waves describe oscillatory ordering of mag-
netic moments. The classical dipolar interaction between the electron moments (which
is of order 10
5
c\ ) is for too weak to explain the observed magnetic transition temper-
ature (which are of order 10
2
10
3 0
/ in transition metal and rare earth compounds)
The coupling mechanism that gives rise to magnetism derives from the fol-
lowing fundamental properties of electrons:
The electrons spin
The electrons kinetic energy
Pauli exclusion principle
Coulomb repulsion
Before we introduce the physical origin of the magnetic coupling between
electrons in solids, we simply review some standard denitions and basic relations of
second quantization.
For an orthonormal single-particle basis, {|c
i
i}
c
i
|c
)
= o
i)
.
357
The creation operator of state i is c
i
and its Hermitian conjugate is annihilation oper-
ator c
i
. Both are dened with respect to the vacuum state |0i
i
such that
|c
i
i = c
i
|0i
i
c
i
|0i
i
= 0.
The number operator is dened as
:
i
= c
i
c
i
For bosons,
h
c
i
. c
)
i
= c
i
c
)
c
)
c
i
= o
i)
{c
i
. c
)
} = 0
For electrons with spin : = 1,2, we have to introduce a pair of operators, c
i,o
where
o =. such that
{c
io
. c
)o
} = o
i)
o
oo
,
{c
io
. c
)o
, } = 0
358
The spin operator can be expressed as
o
i
= o
ia
+io
ij
= ~c
i
c
i
o
i
= o
ia
io
ij
= ~c
i
c
i
o
:
i
=
~
2
(c
i
c
i
c
i
c
i
)
The commutation relations:
[o
i
. o
i
] = 2~o
:
i
[o
:
i
. o
i
] = ~o
i
B 7.4.2 Two-Site Problem
The Hersenberg spin exchange interaction is written as
H = JS
1
S
2
To obtain the eigenstates of H, we check the following relations,
(1) [S
2
1
. H] = 0.but [S
1
. H] 6= 0
(2) [S
2
2
. H] = 0.but [S
2
. H] 6= 0
(3) [S
1
+S
2
. H] = 0
Therefore S
2
1
. S
2
2
.and S
2
tct
= (S
1
+ S
2
)
2
and its z-component S
:
tct
are good
quantum numbers, but o
:
1
. o
:
2
are not. Hence we can denote the simultaneous eigenkets
359
of S
2
tct
. S
:
tct
. S
2
1
and S
2
2
by
|o
tct
. o
:
tct
. o
1
. o
2
i
such that
S
2
1
|o
tct
. o
:
tct
. o
1
. o
2
i
= o
1
(o
1
+ 1) |o
tct
. o
:
tct
. o
1
. o
2
i
S
2
2
|o
tct
. o
:
tct
. o
1
. o
2
i
= o
2
(o
2
+ 1) |o
tct
. o
:
tct
. o
1
. o
2
i
S
:
tct1
|o
tct
. o
:
tct
. o
1
. o
2
i
= o
tct
(o
tct
+ 1) |o
tct
. o
:
tct
. o
1
. o
2
i
S
:
tct1
|o
tct
. o
:
tct
. o
1
. o
2
i
= o
:
tct
|o
tct
. o
:
tct
. o
1
. o
2
i
Fortunately, the state kets are also the eigenkets of H:
H|o
tct
. o
:
tct
. o
1
. o
2
i = 1|o
tct
. o
:
tct
. o
1
. o
2
i
where
1 =
J
2
[o
tct
(o
tct
+ 1) o
1
(o
1
+ 1) o
2
(o
2
+ 1)]
360
and
o
tct
= |o
1
o
2
| . |o
1
o
2
| + 1. ...o
1
+o
2
Since the energy eigenvalues are independent of o
:
tct
can be o
tct
. ...o
tct
the energy
eigenstates are (2o
tct
+ 1)fold degenerated. From the point of view of symmetry,
the degeneracy of the eigenstates originates from the invariance of H under the ol(2)
symmetry rotation,
lHl
= H
where
l = exp[iS
tct
nc,~]
The ground state:
The lowest energy state is determined by the sign of J: when J 0. o
tct
should be taken to be minimum, otherwise o
tct
should be taken to be maximal.
The case of J 0 :
o
tct
= o
1
o
2
. (o
1
o
2
)
The two spins are antiparallel, which is called antiferromagnetic. The ground state
energy
1
j
= J(o
1
+ 1)o
2
The case of J < 0
o
tct
= o
1
+o
2
361
The two spins are parallel, which is ferromagnetic
1
j
= |J| o
1
o
2
B 7.4.3 Ferromagnetic Exchange (J < 0)
Ferromagnetic exchange coupling originates from the direct Coulomb interaction and
the Pauli exclusion principle. In the second quantized form, the two-body Coulomb
interaction is given by
\ =
1
2
Z
drd (r. )
c
(r)
c
0
()
c
0 ()
c
(r).
The eld operator
c
(r) =
X
i
c
i
(r)c
ic
.
The interaction can be expressed as
\ =
1
2
Z
drd (r. )
c
i
(r)c
)
()c
I
()c
|
(r)c
ic
c
)c
0
c
Ic
0 c
|c
=
X
i
l
ii
:
ic
:
ic
+
X
i,i
0
l
ii
0 (:
i
+:
i
)(:
i
0
+:
i
0
)
+
X
i,i
0
J
1
ii
0 c
ic
c
i
0
c
0
c
ic
0 c
i
0
c
+
362
where
l
ii
0 =
1
2
Z
drd |c
i
(r)|
2
|c
i
0 ()|
2
(r. )
J
1
ii
0 =
1
2
Z
drd (r. )c
i
0
(r)c
i
()c
i
0 ()c
i
(r)
The exchange interaction J
1
acts as a Hersenberg interaction:
J
1
i)
0
X
c
+
ic
c
+
i
0
c
0
c
ic
0 c
i
0
c
= 2J
1
i)
0
X
(o
i
o
i
0 +
1
4
:
i
:
i
0 )
The positivity of J
1
i)
0 can be proved as follows:
(1) Complete screening:
= o(r )
In the case,
J
1
ii
0 =
1
2
Z
dr|c
i
(r)|
2
|c
i
0 (r)|
2
0
(2) Long-ranged Coulomb interaction
=
c
2
|r |
Assume c
i
is the plane wave
J
1
ii
0
Z
drexp[i/ r]
c
2
|r|
= 4:
c
2
/
2
0
This is ferromagnetic!
363
B 7.4.4 Antiferromagnetic Exchange
C Two-site (or atom) problem with two electrons
Lets consider two orthogonal orbitals localized on two atoms labelled by i = 1. 2.
Tunnelling between the two atoms (or states) is described by a hopping Hamiltonian
H
t
= t
X
c
(C
+
1c
C
2c
+C
+
2c
C
1c
)
For simplicity, we consider an on-site interaction
H
&
= l
X
:
i
:
i
To explore the physical origin of anti-ferromagnetic coupling, we consider a special case:
n t. In the case, we choose H
&
to be the zero-order(or unperturbed) Hamiltonian
and H
+
to be the perturbation.
For H
&:
there are six possible congurations which are eigenstates of H
&
(1) 1 = 0, |1 . 2 i . |1 . 2 i . |1 . 2 i . |1 . 2 i ;
(2) 1 = l, |1 . 1 i . |2 . 2 i
Denote |ci the unperturbed state with energy 0 and |:i denote the two state
with E=U (n=1,2). In terms of the c-operators,
|ci = c
+
1c
c
+
2c
,
|0i
364
and
|1i = C
1
C
1
|0i
|2i = C
2
C
2
|0i
In the rst-order perturbation theory
hc|H
t
| c
0
i = 0
In the second-order perturbation theory
H
(2)
=
P
a=1,2
hc|H
t
| :i h:|H
t
| ci
hc|H
&
| ci h:|H
&
| :i
=
1
l
X
H
t
:

:
H
t
|:i h:| is a projection operator

|1i h1| = :
1
:
1
(1 :
2
)(1 :
2
)( )
|2i h2| = (1 :
1
)(1 :
1
):
2
:
2
( )
365
H
t
1

1
H
t
c
0
= hc| (C
2
C
.
1
+C
2
C
.
1
+~.c)
:
1
:
1
(1 :
2
)(1 :
2
)
(C
2
C
.
1
+C
2
C
.
1
+~.c) |c
0
i
= hc| (C
2
C
.
1
+C
2
C
.
1
):
1
:
1
(1 :
2
)(1 :
2
)
(C
1
C
.
2
+C
1
C
.
2
) |c
0
i
= hc| (C
1
C
.
1
C
2
C
.
1
C
1
C
.
1
C
2
C
.
2
) +:
1
:
2
+:
1
:
2
) |c
0
i
= hc| 2o
1
o
2
+
1
2
(:
1
+:
1
)(:
2
+:
2
) |c
0
i
Therefore the eective Hamiltonian H
(2)
can be written as an isotropic antiferromag-
netic Hersenberg spin exchange form.
H
(2)
= +
4t
2
l
(
o
1

o
2
1
4
)
As 4t
2
,l 0, the exchange coupling is antiferromagnetic! The ground state of this
two-site problem is spin singlet, i.e. o = 0. Our discussion on the two-site problem
can be easily generalized to a many-site system. The Hersenberg model is dened on a
366
lattice
H =
X
J
i)
o
i
o
)
where i and , are the lattice sites and usually are of the nearest neighbour pair. o
i
can
be taken any value of half-integer, o = 1,2. 1....
One of the most important application of spin superexchange with current
interests is the high temperature superconductivity. the so-called t J model is
extensively discussed over the last decade.
H = t
X
hi)i,o
c
io
c
)o
+
4t
2
l
X
i,)
(
o
i

o
)
1
4
:
i
:
)
)
which is limited within the Hilbert space excluding double occupancy of electrons on
the same site.
367

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LECTURE NOTES

A 1.3 The Stern-Gerlach Experiment

2. the postulate of positive denite metric.

Outer product: |ci h,| is an operator!

hc| A|ci = c hc| A

}. The number of the eigenkets is equal to the dimensionality of the

Let us assume that

Thus the outer product of

gives a new operator in the form of square

= 1. Thus X can be expressed in a matrix form,

Basic Matrix Operations:

it is said that A is measured to be c

|+i = ~|i h+|+i = ~|i

On the base, we have

B 1.6.3 Probability Postulate

We are now in the position to determine the eigenkets of S

The relations between S

Note: The spin 1/2 operator is neither fermion nor boson.

Whether or not there is degeneracy, A measurements and B measurements do

B 1.7.1 Transformation Operator

Relation of two representations:

Relation of an operator in two representations

The trace of X is independent of representation. We can also prove:

}. the operator is expressed as

In the Dirac bra-ket notation, we rewrite it as

As we know from linear algebra, the eigenvalues are determined by

= hr +||r +|i = hr|ri .

= K. then all properties listed are satised.

= hc|ci h,|,i |hc|,i|

b. The anti-Hermitian operator has only purely imaginary expectation value

Case C: The Hamiltonian H is time-dependent but the H

} forms a complete and orthogonal set of base kets. Therefore

U = 1. Under the unitary transformation that changes the state kets

The expectation values of two approaches are the same!

|:i is also an eigenket of ` with eigenvalue : + 1 (increased by one). c |:i is

and c are deemed

B 2.5.2 Propagator as a Transition Amplitude

. To study the dynamics of a charged

B 2.6.4 The Aharonov-Bohm Eect

If there is no singularity in the vector potential, we would have

The solution is singular at o = :. We construct a pair of potentials

for o < : , and

In the form of the gradient,

Find the wave function for the energy eigenstates.

Elementary matrix manipulation leads to

and the innitesimal rotations about any axis are commutable.

where a and b are complex satisfying |c|

(c. /) is not equal to zero, |c. / ~i is also one of eigenkets. Suppose

to both side of the equation above. We can obtain

(c. /) real, we have

|,. :i = [,(, + 1) :(:1)]

| ,:i = ~[,(, + 1) :(:1)]

, we are now in position to study the

To derive the matrix we can make use of the identity: (J

] = 0 , we dene the simultaneous eigenket of `

Dene the total number operator ` by

|,. :i = [,(, + 1) :(:1)]

] = 1, we usually call c and c

the boson operators. In the case

|,. :i = [,(, + 1) :(:1)]

Recalling the binomial theorem,

to the left side of Eq.

How does an eigenket of the position operator transform under parity?Assume