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| Preface to the Second Edition | |
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| The Dawn of the Quantum Theory | |
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| Blackbody Radiation | |
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| Planck's Quantum Hypothesis | |
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| The Photoelectric Effect | |
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| Vibrations of Atoms in Crystals | |
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| The Hydrogen Atomic Spectrum | |
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| The Rydberg Formula | |
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| Angular Momentum | |
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| Quantized Angular Momentum | |
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| Reduced Mass | |
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| De Broglie Waves | |
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| The Relation between de Broglie Waves and Quantized Angular Momentum | |
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| De Broglie Waves Observed | |
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| Two-Slit Experiments | |
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| The Heisenberg Uncertainty Principle | |
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| Problems | |
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| References | |
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| Complex Numbers | |
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| Problems | |
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| The Classical Wave Equation | |
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| The One-Dimensional Classical Wave Equation | |
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| Separation of Variables | |
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| Oscillatory Solutions to Differential Equations | |
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| Superposition of Normal Modes | |
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| A Vibrating Membrane | |
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| Interference of Waves | |
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| Problems | |
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| References | |
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| Probability and Statistics | |
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| Problems | |
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| The Schrodinger Equation and a Particle in a Box | |
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| The Schrodinger Equation | |
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| Linear Operators in Quantum Mechanics | |
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| Eigenvalue Problems In Quantum Mechanics | |
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| Wave Functions and Their Probabilistic Interpretation | |
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| Quantized Energies | |
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| Normalized Wave Functions | |
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| Average Quantities in Quantum Mechanics | |
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| The Uncertainty Principle and Operators | |
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| Particle in a Three-Dimensional Box | |
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| Problems | |
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| References | |
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| Vectors | |
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| Problems | |
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| The Postulates and General Principles of Quantum Mechanics | |
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| State Functions | |
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| Quantum-Mechanical Operators and Classical Variables | |
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| Observable Quantities and Eigenvalues | |
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| Commutators and the Uncertainty Principle | |
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| Hermitian Operators | |
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| Hermitian Operators and Orthogonality | |
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| Commuting Operators and Mutual Eigenfunctions | |
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| Probabilty of a Measurement and Fourier Coefficients | |
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| The Time-Dependent Schrodinger Equation | |
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| Quantum Mechanics and the Two-Slit Experiment | |
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| Problems | |
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| References | |
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| Series and Limits | |
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| Problems | |
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| The Harmonic Oscillator and Vibrational Spectroscopy | |
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| Classical Harmonic Oscillator | |
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| Conservation of Energy of a Classical Harmonic Oscillator | |
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| Harmonic-Oscillator Model of a Diatomic Molecule | |
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| The Harmonic-Oscillator Approximation | |
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| The Energy Levels of a Quantum-Mechanical Harmonic Oscillator | |
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| Infrared Spectra of Diatomic Molecules | |
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| Overtones in Vibrational Spectra | |
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| Harmonic-Oscillator Wave Functions | |
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| Parity of Hermite Polynomials | |
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| Relations Among Hermite Polynomials | |
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| Normal Coordinates | |
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| Harmonic-Oscillator Selection Rule | |
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| Operator Method Solution to the Schrodinger Equation for a Harmonic Oscillator | |
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| Problems | |
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| References | |
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| Spherical Coordinates | |
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| Problems | |
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| The Rigid Rotator and Rotational Spectroscopy | |
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| The Energy Levels of a Rigid Rotator | |
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| The Rigid Rotator Model of a Diatomic Molecule | |
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| Rotation-Vibrational Spectra | |
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| Rotation-Vibration Interaction | |
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| A Nonrigid Rotator | |
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| Spherical Harmonics | |
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| Rigid-Rotator Selection Rule | |
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| Angular Momentum and Measurements | |
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| Determination of the Eigenvalues of L[superscript 2] and L[subscript z] by Operator Methods | |
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| Problems | |
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| References | |
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| Determinants | |
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| Problems | |
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| The Hydrogen Atom | |
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| The Schrodinger Equation for a Hydrogen Atom | |
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| s Orbitals | |
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| p Orbitals | |
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| The Zeeman Effect | |
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| Electron Spin | |
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| Spin-Orbit Interaction | |
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| Hydrogen Atomic Term Symbols | |
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| The Zeeman Effect Revisited | |
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| The Schrodinger Equation for a Helium Atom | |
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| Problems | |
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| References | |
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| Matrices | |
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| Problems | |
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| Approximation Methods | |
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| The Variational Method | |
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| Trial Functions That Depend Linearly on Variational Parameters | |
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| Trial Functions That Depend Nonlinearly on Variational Parameters | |
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| Introduction to Perturbation Theory | |
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| First-Order Pertubation Theory | |
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| Selection Rules and Time-Dependent Perturbation Theory | |
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| Problems | |
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| References | |
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| Matrix Eigenvalue Problems | |
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| Problems | |
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| Many-Electron Atoms | |
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| Atomic Units | |
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| Classic Calculations on a Helium Atom | |
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| Hartree-Fock Equations for a Helium Atom | |
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| Antisymmetry of Electronic Wave Functions | |
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| Slater Determinants | |
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| The Hartree-Fock-Roothaan Method | |
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| Hartree-Fock-Roothaan Results for Atoms | |
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| Correlation Energy | |
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| Atomic Term Symbols | |
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| Addition of Angular Momenta | |
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| Hund's Rules | |
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| Atomic Term Symbols and Atomic Spectra | |
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| Russell-Saunders Coupling | |
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| An SCF Calculation of a Helium Atom | |
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| Problems | |
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| References | |
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| The Chemical Bond: One- and Two-Electron Molecules | |
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| The Born-Oppenheimer Approximation | |
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| The Hydrogen Molecular Ion, [Characters not reproducible] | |
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| Molecular Orbitals Constructed from a Linear Combination of Atomic Orbitals | |
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| Bonding and Antibonding Orbitals | |
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| Molecular Orbital Theory and the Virial Theorem | |
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| Polarization Terms in Basis Sets | |
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| The Schrodinger Equation for H[subscript 2] | |
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| Molecular Orbital Theory Results for H[subscript 2] | |
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| Configuration Interaction | |
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| An SCF Calculation on H[subscript 2] | |
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| Molecular Orbital Theory of H[subscript 2] | |
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| Problems | |
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| References | |
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| Qualitative Theory of Chemical Bonding | |
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| Molecular Orbitals | |
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| Molecular Electron Configurations | |
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| Molecular Orbital Theory and Heteronuclear Diatomic Molcules | |
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| Molecular Term Symbols | |
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| Molecular Term Symbols and Symmetry Properties | |
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| The [pi]-Electron Approximation | |
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| Huckel Molecular Orbital Theory and Bond Orders | |
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| Huckel Molecular Orbital Theory in Matrix Notation | |
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| Problems | |
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| References | |
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| The Hartree-Fock-Roothaan Method | |
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| The Hartree-Fock-Roothaan Equations | |
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| Minimal Gaussian Basis Sets | |
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| Extended Gaussian Basis Sets | |
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| Basis Sets with Orbital Polarization Terms | |
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| Using Gaussian 03 and WebMO | |
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| Hartree-Fock-Roothaan Results | |
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| Post-Hartree-Fock Methods | |
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| Problems | |
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| References | |
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| References for Post-Hartree-Fock Methods | |
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| Answers to the Numerical Problems | |
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| Index | |
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| Illustration Credits | |