| Preface | p. v |
| The Rise of Atomic Theory | p. 1 |
| Early Atomic Theories | p. 2 |
| The Chemical Atom | p. 3 |
| The Kinetic Molecule | p. 4 |
| The Spectroscopic Atom | p. 7 |
| Antiatomism | p. 9 |
| The Discovery of the Electron. The Planetary Atom | p. 10 |
| The Constituents of Atoms and Molecules. The Modern View | p. 13 |
| External Interactions. Photons | p. 16 |
| The Birth of Quantum Mechanics | p. 20 |
| Black-Body Radiation and Planck's Discovery | p. 21 |
| Photons and the Photoelectric Effect | p. 27 |
| The Photon is a Relativistic Particle | p. 31 |
| The Heat-Capacity Problem | p. 33 |
| Bohr's Theory of the Hydrogen Atom | p. 37 |
| De Broglie Waves | p. 43 |
| Wave Mechanics | p. 50 |
| The Time-Dependent Schrodinger Equation | p. 51 |
| The Time-Independent Schrodinger Equation | p. 54 |
| Schrodinger Operators | p. 55 |
| The Statistical Interpretation | p. 57 |
| Particle in a Box | p. 61 |
| Introduction | p. 62 |
| The One-Dimensional Box | p. 65 |
| Orthogonality of Wavefunctions | p. 70 |
| Number of Nodes Versus Energy | p. 72 |
| Inversion Symmetry | p. 72 |
| The Three-Dimensional Box | p. 75 |
| The Concept of Degeneracy | p. 76 |
| The Free-Electron Model | p. 82 |
| Non-Stationary States | p. 87 |
| Quantum-Mechanical Operators | p. 93 |
| The Bra-Ket Notation | p. 94 |
| Linear Operators. The Commutator | p. 97 |
| Hermitian Operators. Hermitian Conjugation | p. 101 |
| Some Properties of Hermitian Operators | p. 107 |
| Expectation Values and Uncertainties | p. 111 |
| The Particle in a Box Revisited | p. 114 |
| Commuting Hermitian Operators | p. 117 |
| The General Uncertainty Principle | p. 120 |
| Quantum Theory and Measurements | p. 121 |
| Matrix Algebra | p. 125 |
| The Free Particle | p. 133 |
| The Stationary States of the Free Particle | p. 134 |
| Non-Stationary States of the Free Particle | p. 139 |
| The Gaussian Wave Packet | p. 143 |
| From One to Three Dimensions | p. 145 |
| The Harmonic Oscillator | p. 147 |
| Definitions | p. 148 |
| The Schrodinger Equation for the Harmonic Oscillator | p. 149 |
| Solving the Schrodinger Equation | p. 151 |
| The Wavefunctions | p. 155 |
| The Algebraic Method | p. 158 |
| The Central Field Problem | p. 165 |
| The Reduced Mass of a Two-Body System | p. 167 |
| Spherical Polar Coordinates | p. 171 |
| Spherical Harmonics | p. 174 |
| The Radial Function P(r) | p. 186 |
| The Hydrogen Atom | p. 192 |
| The Effective Potential. General Notation | p. 193 |
| The Radial Equation for the Hydrogen-Like Atom | p. 195 |
| The Normalized Radial Functions | p. 201 |
| Radial Probability Densities | p. 203 |
| The Complete Wavefunctions | p. 208 |
| The Spinning Electron | p. 218 |
| General Angular Momentum Theory | p. 220 |
| Spin, Spin Functions and Spin-Orbitals | p. 222 |
| Properties of the Spin One-Half Operators | p. 226 |
| The One-Electron Atom in External Fields | p. 230 |
| The Zeeman Effect | p. 239 |
| The Pauli Equation | p. 241 |
| Angular-Momentum Theory and Rotations | p. 242 |
| The Periodic Table by Electron Counting | p. 246 |
| The Many-Electron Atom | p. 247 |
| Neglect of Electron-Electron Repulsion | p. 249 |
| The Aufbau Principle | p. 252 |
| Exchange Degeneracy | p. 254 |
| Pauli's Exclusion Principle. Slater Determinants | p. 257 |
| Including Electron-Electron Repulsion | p. 260 |
| Slater Type Orbitals | p. 261 |
| The Variational Method | p. 270 |
| Introduction | p. 270 |
| Variational Principles | p. 271 |
| The Time-Independent Schrodinger Equation | p. 272 |
| The Variational Method | p. 274 |
| The Linear Variational Method | p. 279 |
| Factorization of Secular Problems | p. 283 |
| Diatomic Molecules | p. 289 |
| The Adiabatic Approximation | p. 290 |
| One-Electron Diatomic Molecules | p. 295 |
| The LCAO Approximation | p. 303 |
| The Homonuclear Case. Ground State of H[superscript 2 subscript +] | p. 305 |
| LCAO-MOs for Homonuclear Diatomics | p. 314 |
| Electronic Structure of Homonuclear Diatomics | p. 318 |
| Vibration and Rotation of Diatomic Molecules | p. 324 |
| Introduction | p. 324 |
| The Vibrational Motion | p. 326 |
| The Vibrating Rotator | p. 334 |
| On Rotational and Vibrational Spectra | p. 338 |
| Atomic Term Symbols | p. 341 |
| Orthonormal Bases and Unitary Matrices | p. 342 |
| Coupling of Two Angular Momenta | p. 345 |
| Vector-Coupling Coefficients by the Construction Method | p. 351 |
| Angular Momenta in Many-Electron Atoms | p. 356 |
| Atomic Terms. Wavefunctions and Energies | p. 367 |
| Operating on Slater Determinants | p. 368 |
| Term Wavefunctions | p. 370 |
| Matrix Elements Between Slater Determinants | p. 374 |
| Energies of Atomic Terms | p. 380 |
| Hund's Rules | p. 385 |
| Electronic Terms of Diatomic Molecules | p. 388 |
| The Oxygen Molecule. Term Analysis | p. 388 |
| The Oxygen Molecule. Real Wavefunctions | p. 391 |
| The Oxygen Molecule. Term Energies | p. 392 |
| The Hartree--Fock Method | p. 396 |
| Hartree--Fock Method for a Single Determinant | p. 397 |
| Spin Restrictions | p. 404 |
| Conventional Hartree--Fock Theory | p. 407 |
| The Correlation Problem | p. 410 |
| Density-Functional Theory | p. 412 |
| Reduced Density Matrices | p. 413 |
| Single Slater Determinant | p. 417 |
| The Hohenberg-Kohn Theorem | p. 420 |
| The Kohn--Sham Equations | p. 422 |
| Complex Numbers and Quantum Mechanics | p. 426 |
| Atomic Units | p. 429 |
| The International System of Units (SI) | p. 429 |
| Atomic Units | p. 430 |
| Curvilinear Coordinate Systems | p. 434 |
| Surface Spherical Harmonics and Special Functions | p. 440 |
| The [delta]-Function | p. 442 |
| Index | p. 451 |
| Table of Contents provided by Syndetics. All Rights Reserved. |