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Quantum Mechanics for Scientists

and Engineers

David A. B. Miller
Stanford University

CAMBRIDGE
UNIVERSITY PRESS
Contents

Preface xiii

How to use this book xvi

Chapter 1 Introduction 1
1.1 Quantum mechanics and real life 1
1.2 Quantum mechanics as an intellectual achievement 4
1.3 Using quantum mechanics 6

Chapter 2 Waves and quantum mechanics - Schrödinger's equation 8

2.1 Rationalization of Schrödinger's equation 8
2.2 Probability densities 11
2.3 Diffraction by two slits 12
2.4 Linearity of quantum mechanics: multiplying by a constant 16
2.5 Normalization of the wavefunction 17
2.6 Particle in an infinitely deep potential well ("particle in a box") 18
2.7 Properties of sets of eigenfunctions 23
2.8 Particles and barriers of finite heights 26
2.9 Particle in a finite potential well 32
2.10 Harmonie oscillator 39
2.11 Particle in a linearly varying potential 42
2.12 Summary of concepts 50

Chapter 3 The time-dependent Schrödinger equation 54

3.1 Rationalization of the time-dependent Schrödinger equation 55
3.2 Relation to the time-independent Schrödinger equation 57
3.3 Solutions of the time-dependent Schrödinger equation 58
3.4 Linearity of quantum mechanics: linear superposition 59
3.5 Time dependence and expansion in the energy eigenstates 60
3.6 Time evolution of infinite potential well and harmonic oscillator 61
3.7 Time evolution of wavepackets 66
3.8 Quantum mechanical measurement and expectation values 73
3.9 The Hamiltonian 77
3.10 Operators and expectation values 77
3.11 Time evolution and the Hamiltonian operator 78
3.12 Momentum and position operators 81
3.13 Uncertainty principle 83
3.14 Particle current 85
3.15 Quantum mechanics and Schrödinger's equation 88
3.16 Summary of concepts 89
viii Contents

Chapter 4 Functions and operators 93

4.1 Functions as vectors 94
4.2 Vector space 100
4.3 Operators 103
4.4 Linear operators 104
4.5 Evaluating the elements of the matrix associated with an Operator 107
4.6 Bilinear expansion of linear operators 108
4.7 Specific important types of linear operators 110
4.8 Identity Operator 110
4.9 Inverse Operator 113
4.10 Unitary operators 114
4.11 Hermitian operators 119
4.12 Matrix form of derivative operators 124
4.13 Matrix corresponding to multiplying by a function 125
4.14 Summary of concepts 125

Chapter 5 Operators and quantum mechanics 129

5.1 Commutation of operators 129
5.2 General form of the uncertainty principle 131
5.3 Transitioning from sums to integrals 135
5.4 Continuous eigenvalues and delta functions 136
5.5 Summary of concepts 150

Chapter 6 Approximation methods in quantum mechanics 154

6.1 Example problem - potential well with an electric field 155
6.2 Use of finite matrices 157
6.3 Time-independent nondegenerate perturbation theory 161
6.4 Degenerate perturbation theory 170
6.5 Tight binding model 172
6.6 Variational method 176
6.7 Summary of concepts 180

Chapter 7 Time-dependent perturbation theory 182

7.1 Time-dependent perturbations 182
7.2 Simple oscillating perturbations 185
7.3 Refractive index 192
7.4 Nonlinear optical coefficients 195
7.5 Summary of concepts 205

Chapter 8 Quantum mechanics in crystalline materials 207

8.1 Crystals 207
8.2 One electron approximation 209
8.3 Bloch theorem 209
8.4 Density of states in k-space 213
8.5 Band structure 214
8.6 Effective mass theory 216
8.7 Density of states in energy 220
8.8 Densities of states in quantum wells 221
Contents ix

8.9 k•p method 226

8.10 Use of Fermi's Golden Rule 231
8.11 Summary of concepts 239

Chapter 9 Angular momentum 242

9.1 Angular momentum operators 242
9.2 L squared Operator 247
9.3 Visualization of spherical harmonic functions 250
9.4 Comments an notation 253
9.5 Visualization of angular momentum 254
9.6 Summary of concepts 255

Chapter 10 The hydrogen atom 257

10.1 Multiple-particle wavefunctions 258
10.2 Hamiltonian for the hydrogen atom problem 259
10.3 Coordinates for the hydrogen atom problem 260
10.4 Solving for the internal states of the hydrogen atom 264
10.5 Solutions of the hydrogen atom problem 270
10.6 Summary of concepts 275

Chapter 11 Methods for one-dimensional problems 277

11.1 Tunneling probabilities 277
11.2 Transfer matrix 280
11.3 Penetration factor for slowly varying barriers 288
11.4 Electron emission with a potential barrier 289
11.5 Summary of concepts 295

Chapter 12 Spin 297

12.1 Angular momentum and magnetic moments 298
12.2 State vectors for spin angular momentum 300
12.3 Operators for spin angular momentum 302
12.4 The Bloch sphere 303
12.5 Direct product spaces and wavefunctions with spin 305
12.6 Pauli equation 307
12.7 Where does spin come from? 307
12.8 Summary of concepts 308

Chapter 13 Identical particles 311

13.1 Scattering of identical particles 311
13.2 Pauli exclusion principle 315
13.3 States, single-particle states, and modes 316
13.4 Exchange energy 316
13.5 Extension to more than two identical particles 321
13.6 Multiple-particle basis functions 323
13.7 Thermal distribution functions 328
13.8 Important extreme examples of states of multiple identical particles 329
13.9 Quantum mechanical particles reconsidered 330
13.10 Distinguishable and indistinguishable particles 331
x Contents

13.11 Summary of concepts 332

Chapter 14 The density matrix 335

14.1 Pure and mixed states 335
14.2 Density Operator 338
14.3 Density matrix and ensemble average values 339
14.4 Time evolution of the density matrix 341
14.5 Interaction of light with a two-level "atomic" system 343
14.6 Density matrix and perturbation theory 350
14.7 Summary of concepts 351

Chapter 15 Harmonic oscillators and photons 354

15.1 Harmonie oscillator and raising and lowering operators 354
15.2 Hamilton' s equations and generalized position and momentum 360
15.3 Quantization of electromagnetic Fields 361
15.4 Nature of the quantum mechanical states of an electromagnetic mode 366
15.5 Field operators 367
15.6 Quantum mechanical states of an electromagnetic field mode 370
15.7 Generalization to sets of modes 373
15.8 Vibrational modes 378
15.9 Summary of concepts 379

Chapter 16 Fermion operators 383

16.1 Postulation of fermion annihilation and creation operators 384
16.2 Wavefunction Operator 393
16.3 Fermion Hamiltonians 395
16.4 Summary of concepts 403

Chapter 17 Interaction of different kinds of particles 406

17.1 States and commutation relations for different kinds of particles 406
17.2 Operators for systems with different kinds of particles 407
17.3 Perturbation theory with annihilation and creation operators 409
17.4 Stimulated emission, spontaneous emission, and optical absorption 411
17.5 Summary of concepts 422

Chapter 18 Quantum information 424

18.1 Quantum mechanical measurements and wavefunction collapse 424
18.2 Quantum cryptography 425
18.3 Entanglement 431
18.4 Quantum computing 434
18.5 Quantum teleportation 437
18.6 Summary of concepts 440

Chapter 19 Interpretation of quantum mechanics 441

19.1 Hidden variables and Bell' s inequalities 441
19.2 The measurement problem 448
19.3 Solutions to the measurement problem 449
19.4 Epilogue 454
Contents xi

19.5 Summary of concepts 455

Appendix A Background mathematics 457

A.1 Geometrical vectors 457
A.2 Exponential and logarithm notation 460
A.3 Trigonometrie notation 460
A.4 Complex numbers 461
A.5 Differential calculus 464
A.6 Differential equations 468
A.7 Summation notation 474
A.8 Integral calculus 475
A.9 Matrices 478
A.10 Product notation 489
A.11 Factorial 490

Appendix B Background physics 491

B.1 Elementary classical mechanics 491
B.2 Electrostatics 494
B.3 Frequency units 495
B.4 Waves and diffraction 495

Appendix C Vector calculus 499

C.1 Vector calculus operators 499
C.2 Spherical polar coordinates 504
C.3 Cylindrical coordinates 506
C.4 Vector calculus identities 507

Appendix D Maxwell's equations and electromagnetism 509

D.1 Polarization of a material 509
D.2 Maxwell's equations 511
D.3 Maxwell's equations in free space 512
D.4 Electromagnetic wave equation in free space 512
D.5 Electromagnetic plane waves 513
D.6 Polarization of a wave 514
D.7 Energy density 514
D.8 Energy flow 514
D.9 Modes 516

Appendix E Perturbing Hamiltonian for optical absorption 519

E. 1 Justification of the classical Hamiltonian 519
E.2 Quantum mechanical Hamiltonian 520
E.3 Choice of gauge 521
E.4 Approximation to linear system 522
xiiContents

Appendix F Early history of quantum mechanics 523

Appendix G Some useful mathematical formulae 525

G.1 Elementary mathematical expressions 525
G.2 Formulae for sines, cosines, and exponentials 526
G.3 Special functions 529

Appendix H Greek alphabet 533

Appendix I Fundamental constants 534

Bibliography 535

Memorization list 539

Index 544