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| Preface | p. xiii |
| Acknowledgments | p. xv |
| About the Author | p. xvii |
| Introduction | p. 1 |
| Why Quantum Mechanics? | p. 1 |
| Photoelectric Effect | p. 1 |
| Wave-Particle Duality | p. 2 |
| Energy Equations | p. 3 |
| The Schrödinger Equation | p. 5 |
| Simulation of the One-Dimensional, Time-Dependent Schrödinger Equation | p. 7 |
| Propagation of a Particle in Free Space | p. 8 |
| Propagation of a Particle Interacting with a Potential | p. 11 |
| Physical Parameters: The Observables | p. 14 |
| The Potential V(x) | p. 17 |
| The Conduction Band of a Semiconductor | p. 17 |
| A Particle in an Electric Field | p. 17 |
| Propagating through Potential Barriers | p. 20 |
| Summary | p. 23 |
| Exercises | p. 24 |
| References | p. 25 |
| Stationary States | p. 27 |
| The Infinite Well | p. 28 |
| Eigenstates and Eigenenergies | p. 30 |
| Quantization | p. 33 |
| Eigenfunction Decomposition | p. 34 |
| Periodic Boundary Conditions | p. 38 |
| Eigenfunctions for Arbitrarily Shaped Potentials | p. 39 |
| Coupled Wells | p. 41 |
| Bra-ket Notation | p. 44 |
| Summary | p. 47 |
| Exercises | p. 47 |
| References | p. 49 |
| Fourier Theory in Quantum Mechanics | p. 51 |
| The Fourier Transform | p. 51 |
| Fourier Analysis and Available States | p. 55 |
| Uncertainty | p. 59 |
| Transmission via FFT | p. 62 |
| Summary | p. 66 |
| Exercises | p. 67 |
| References | p. 69 |
| Matrix Algebra in Quantum Mechanics | p. 71 |
| Vector and Matrix Representation | p. 71 |
| State Variables as Vectors | p. 71 |
| Operators as Matrices | p. 73 |
| Matrix Representation of the Hamiltonian | p. 76 |
| Finding the Eigenvalues and Eigenvectors of a Matrix | p. 77 |
| A Well with Periodic Boundary Conditions | p. 77 |
| The Harmonic Oscillator | p. 80 |
| The Eigenspace Representation | p. 81 |
| Formalism | p. 83 |
| Hermitian Operators | p. 83 |
| Function Spaces | p. 84 |
| Appendix: Review of Matrix Algebra | p. 85 |
| Exercises | p. 88 |
| References | p. 90 |
| A Brief Introduction to Statistical Mechanics | p. 91 |
| Density of States | p. 91 |
| One-Dimensional Density of States | p. 92 |
| Two-Dimensional Density of States | p. 94 |
| Three-Dimensional Density of States | p. 96 |
| The Density of States in the Conduction Band of a Semiconductor | p. 97 |
| Probability Distributions | p. 98 |
| Fermions versus Classical Particles | p. 98 |
| Probability Distributions as a Function of Energy | p. 99 |
| Distribution of Fermion Balls | p. 101 |
| Particles in the One-Dimensional Infinite Well | p. 105 |
| Boltzmann Approximation | p. 106 |
| The Equilibrium Distribution of Electrons and Holes | p. 107 |
| The Electron Density and the Density Matrix | p. 110 |
| The Density Matrix | p. 111 |
| Exercises | p. 113 |
| References | p. 114 |
| Bands and Subbands | p. 115 |
| Bands in Semiconductors | p. 115 |
| The Effective Mass | p. 118 |
| Modes (Subbands) in Quantum Structures | p. 123 |
| Exercises | p. 128 |
| References | p. 129 |
| The Schrödinger Equation for Spin-1/2 Fermions | p. 131 |
| Spin in Fermions | p. 131 |
| Spinors in Three Dimensions | p. 132 |
| The Pauli Spin Matrices | p. 135 |
| Simulation of Spin | p. 136 |
| An Electron in a Magnetic Field | p. 142 |
| A Charged Particle Moving in Combined E and B Fields | p. 146 |
| The Hartree-Fock Approximation | p. 148 |
| The Hartree Term | p. 148 |
| The Fock Term | p. 153 |
| Exercises | p. 155 |
| References | p. 157 |
| The Green's Function Formulation | p. 159 |
| Introduction | p. 160 |
| The Density Matrix and the Spectral Matrix | p. 161 |
| The Matrix Version of the Green's Function | p. 164 |
| Eigenfunction Representation of Green's Function | p. 165 |
| Real Space Representation of Green's Function | p. 167 |
| The Self-Energy Matrix | p. 169 |
| An Electric Field across the Channel | p. 174 |
| A Short Discussion on Contacts | p. 175 |
| Exercises | p. 176 |
| References | p. 176 |
| Transmission | p. 177 |
| The Single-Energy Channel | p. 177 |
| Current Flow | p. 179 |
| The Transmission Matrix | p. 181 |
| Flow into the Channel | p. 183 |
| Flow out of the Channel | p. 184 |
| Transmission | p. 185 |
| Determining Current Flow | p. 186 |
| Conductance | p. 189 |
| Büttiker Probes | p. 191 |
| A Simulation Example | p. 194 |
| Exercises | p. 196 |
| References | p. 197 |
| Approximation Methods | p. 199 |
| The Variational Method | p. 199 |
| Nondegenerate Perturbation Theory | p. 202 |
| First-Order Corrections | p. 203 |
| Second-Order Corrections | p. 206 |
| Degenerate Perturbation Theory | p. 206 |
| Time-Dependent Perturbation Theory | p. 209 |
| An Electric Field Added to an Infinite Well | p. 212 |
| Sinusoidal Perturbations | p. 213 |
| Absorption, Emission, and Stimulated Emission | p. 215 |
| Calculation of Sinusoidal Perturbations Using Fourier Theory | p. 216 |
| Fermi's Golden Rule | p. 221 |
| Exercises | p. 223 |
| References | p. 225 |
| The Harmonic Oscillator | p. 227 |
| The Harmonic Oscillator in One Dimension | p. 227 |
| Illustration of the Harmonic Oscillator Eigenfunctions | p. 232 |
| Compatible Observables | p. 233 |
| The Coherent State of the Harmonic Oscillator | p. 233 |
| The Superposition of Two Eigentates in an Infinite Well | p. 234 |
| The Superposition of Four Eigenstates in a Harmonic Oscillator | p. 235 |
| The Coherent State | p. 236 |
| The Two-Dimensional Harmonic Oscillator | p. 238 |
| The Simulation of a Quantum Dot | p. 238 |
| Exercises | p. 244 |
| References | p. 244 |
| Finding Eigenfunctions Using Time-Domain Simulation | p. 245 |
| Finding the Eigenenergies and Eigenfunctions in One Dimension | p. 245 |
| Finding the Eigenfunctions | p. 248 |
| Finding the Eigenfunctions of Two-Dimensional Structures | p. 249 |
| Finding the Eigenfunctions in an Irregular Structure | p. 252 |
| Finding a Complete Set of Eigenfunctions | p. 257 |
| Exercises | p. 259 |
| References | p. 259 |
| Important Constants and Units | p. 261 |
| Fourier Analysis and the Fast Fourier Transform (FFT) | p. 265 |
| The Structure of the FFT | p. 265 |
| Windowing | p. 267 |
| FFT of the State Variable | p. 270 |
| Exercises | p. 271 |
| References | p. 271 |
| An Introduction to the Green's Function Method | p. 273 |
| A One-Dimensional Electromagnetic Cavity | p. 275 |
| Exercises | p. 279 |
| References | p. 279 |
| Listings of the Programs Used in this Book | p. 281 |
| Chapter 1 | p. 281 |
| Chapter 2 | p. 284 |
| Chapter 3 | p. 295 |
| Chapter 4 | p. 309 |
| Chapter 5 | p. 312 |
| Chapter 6 | p. 314 |
| Chapter 7 | p. 323 |
| Chapter 8 | p. 336 |
| Chapter 9 | p. 345 |
| Chapter 10 | p. 356 |
| Chapter 11 | p. 378 |
| Chapter 12 | p. 395 |
| Appendix B | p. 415 |
| Index | p. 419 |
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