Table of Contents

Chapter 1 Quantum Mechanics and Electronic Structure 1.1 Quantum Mechanics 1.2 Mathematics Review 1.3 Units 1.4 The Particle in a Box 1.5 The Harmonic Oscillator 1.6 Orbital Angular Momentum 1.7 Angular-Momentum Ladder Operators 1.8 Parity 1.9 The Variation Method 1.10 Perturbation Theory 1.11 The Central-Force Problem 1.12 The Two-Particle Problem 1.13 The Two-Particle Rigid Rotor 1.14 The Hydrogen Atom 1.15 Spin 1.16 The Pauli Principle 1.17 Many-Electron Atoms 1.18 Symmetry Point Groups 1.19 Molecular Electronic Structure 1.20 The HartreeFock Method 1.21 Semiempirical Methods Chapter 2 Matrices 2.1 Matrices 2.2 Eigenvalues and Eigenvectors 2.3 Matrices and Quantum Mechanics Chapter 3 Time-Dependent States and Spectroscopy 3.1 Time-Dependent Perturbation Theory 3.2 Absorption and Emission of Radiation 3.3 Selection Rules 3.4 Spectroscopy 3.5 Line Shapes and Widths 3.6 Lasers Chapter 4 Vibration and Rotation of Diatomic Molecules 4.1 Nuclear Motion in Diatomic Molecules 4.2 Anharmonicity, VibrationRotation Interaction, and Centrifugal Distortion 4.3 Potential-Energy Functions for Diatomic Molecules 4.4 Selection Rules for Rotational and Vibrational Transitions 4.5 Rotational Spectra of Diatomic Molecules 4.6 VibrationRotation Spectra of Diatomic Molecules 4.7 Parity of Diatomic-Molecule Wave Functions 4.8 Nuclear Spin and the Pauli Principle 4.9 Ortho and Para Modifications of Homonuclear Diatomic Molecules 4.10 The Raman Effect 4.11 Rotational Energies of Non-1 Diatomic Molecules Chapter 5 Rotation of Polyatomic Molecules 5.1 Nuclear Motion of Polyatomic Molecules 5.2 Classical Mechanics of a Rigid Rotor 5.3 The Rotational Hamiltonian Operator 5.4 The Spherical Top 5.5 The Symmetric Top 5.6 The Asymmetric Top 5.7 Pure-Rotation Spectra of Polyatomic Molecules 5.8 Microwave Spectroscopy Chapter 6 Vibration of Polyatomic Molecules 6.1 Introduction 6.2 Classical Mechanics of Vibration 6.3 Symmetry and Normal Vibrations 6.4 Quantum Mechanics of Vibration 6.5 Selection Rules for VibrationRotation and Pure-Rotation Transitions 6.6 Infrared Spectroscopy 6.7 Raman Spectroscopy 6.8 Degenerate and Near-Degenerate Vibrational Levels 6.9 Parity of Polyatomic-Molecule Wave Functions 6.10 Nuclear Spin and the Pauli Principle Chapter 7 Electronic Spectroscopy 7.1 Electronic Spectroscopy 7.2 Electronic Spectra of Diatomic Molecules 7.3 Electronic Spectra of Polyatomic Molecules 7.4 Photoelectron Spectroscopy Chapter 8 Magnetic Resonance Spectroscopy 8.1 Magnetic Resonance 8.2 Nuclear Magnetic Moments 8.3 Nuclear Magnetic Resonance 8.4 NMR Chemical Shifts 8.5 NMR SpinSpin Splittings 8.6 NMR Spectra of Nuclei Other Than Protons 8.7 Origin of NMR SpinSpin Coupling 8.8 Spin Relaxation 8.9 NMR and Rate Processes 8.10 Nuclear Quadrupole Moments 8.11 Electron Spin Resonance Chapter 9 Group Theory 9.1 Groups 9.2 Multiplication Tables 9.3 Coordinate Transformations and Matrices 9.4 Representations 9.5 Character Tables 9.6 Basis Functions 9.7 Group Theory and Quantum Mechanics 9.8 Group Theory and Electronic Structure 9.9 Group Theory and Molecular Vibrations 9.10 Group Theory and Molecular Rotation 9.11 The Direct-Product Representation 9.12 Character Tables of Some Point Groups Appendix Bibliography Answers to Selected Problems Index