| PREFACE 1 THE SCHRODINGER EQUATION 1.1 Quantum Chemistry 1.2 Historical Background of Quantum Mechanics 1.3 The Uncertainty Principle 1.4 The Time-Dependent Schr6dinger Equation 1.5 The Time-Independent Schr6dinger Equation 1.6 Probability 1.7 Complex Numbers 1.8 Units 1.9 Summary 2 THE PARTICLE IN A BOX 2.1 Differential Equations 2.2 Particle in a One-Dimensional Box 2.3 The Free Particle in One Dimension 2.4 Particle in a Rectangular Well 2.5 Tunneling 2.6 Summary 3 OPERATORS 3.1 Operators 3.2 Eigenfunctions and Eigenvalues 3.3 Operators and Quantum Mechanics 3.4 The Three-Dimensional Many-Particle Schrodinger Equation 3.5 The Particle in a Three-Dimensional Box 3.6 Degeneracy 3.7 Average Values 3.8 Requirements for an Acceptable Wave Function 3.9 Summary 4 THE HARMONIC OSCILLATOR 4.1 Power-Series Solution of Differential Equations 4.2 The One-Dimensional Harmonic Oscillator 4.3 Vibration of Molecules 4.4 Numerical Solution of the One-Dimensional Time-Independent Schrodinger Equation 4.5 Summary 5 ANGULAR MOMENTUM 5.1 Simultaneous Specification of Several Properties, 5.2 Vectors 5.3 Angular Momentum of a One-Particle System 5.4 The Ladder-Operator Method for Angular Momentum 5.5 Summary 6 THE HYDROGEN ATOM 6.1 The One-Particle Central-Force Problem 6.2 Noninteracting Particles and Separation of Variables 6.3 Reduction of the Two-Particle Problem to Two One-Particle Problems, 6.4 The Two-Particle Rigid Rotor 6.5 The Hydrogen Atom 6.6 The Bound-State Hydrogen-Atom Wave Functions 6.7 Hydrogenlike Orbitals 6.8 The Zeeman Effect 6.9 Numerical Solution of the Radial Schrodinger Equation 6.10 Summary 7 THEOREMS OF QUANTUM MECHANICS 7.1 Introduction 7.2 Hermitian Operators 7.3 Expansion in Terms of Eigenfunctions 7.4 Eigenfunctions of Commuting Operators 7.5 Parity 7.6 Measurement and the Superposition of States. 7.7 Position Eigenfunctions 7.8 The Postulates of Quantum Mechanics 7.9 Measurement and the Interpretation of Quantum Mechanics 7.10 Matrices 7.11 Summary 8 THE VARIATION METHOD 8.1 The Variation Theorem 8.2 Extension of the Variation Method 8.3 Determinants 8.4 Simultaneous Linear Equations 8.5 Linear Variation Functions 8.6 Matrices, Eigenvalues, and Eigenvectors 8.7 Summary 9 PERTURBATION THEORY 10 ELECTRON SPIN AND THE PAULI PRINCIPLE 11 MANY-ELECTRON ATOMS 12 MOLECULAR SYMMETRY 13 ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES 14 THE VIRIAL THEOREM AND THE HELLMANN-FEYNMAN THEOREM 15 AB INITIO AND DENSITY-FUNCTIONAL TREATMENTS OF MOLECULES 16 SEMIEMPIRICAL AND MOLECULAR-MECHANICS TREATMENTS OF MOLECULES 17 COMPARISONS OF METHODS APPENDIX BIBLIOGRAPHY ANSWERS TO SELECTED PROBLEMS INDEX |
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