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Chapter 17 QUANTUM MECHANICS 590 Table of Contents
17.1 Blackbody Radiation and Energy Quantization 591
17.2 The Photoelectric Effect and Photons 593
17.3 The Bohr Theory of the Hydrogen Atom 594
17.4 The de Broglie Hypothesis 595
17.5 The Uncertainty Principle 597
17.6 Quantum Mechanics 599
17.7 The Time-Independent Schrödinger Equation 604
17.8 The Particle in a One-Dimensional Box 606
17.9 The Particle in a Three-Dimensional Box 610
17.10 Degeneracy 612
17.11 Operators 613
17.12 The One-Dimensional Harmonic Oscillator 619
17.13 Two-Particle Problems 621
17.14 The Two-Particle Rigid Rotor 622
17.15 Approximation Methods 623
17.16 Hermitian Operators 627
17.17 Summary 630
Chapter 18 ATOMIC STRUCTURE 637
18.1 Units 637
18.2 Historical Background 637
18.3 The Hydrogen Atom 638
18.4 Angular Momentum 647
18.5 Electron Spin 649
18.6 The Helium Atom and the Spin–Statistics Theorem 650
18.7 Total Orbital and Spin Angular Momenta 656
18.8 Many-Electron Atoms and the Periodic Table 658
18.9 Hartree–Fock and Configuration-Interaction
Wave Functions 663
18.10 Summary 666
Chapter 19 MOLECULAR ELECTRONIC STRUCTURE 672
19.1 Chemical Bonds 672
19.2 The Born–Oppenheimer Approximation 676
19.3 The Hydrogen Molecule Ion 681
19.4 The Simple MO Method for Diatomic Molecules 686
19.5 SCF and Hartree–Fock Wave Functions 692
19.6 The MO Treatment of Polyatomic Molecules 693
19.7 The Valence-Bond Method 702
19.8 Calculation of Molecular Properties 704
19.9 Accurate Calculation of Molecular Electronic
Wave Functions and Properties 708
19.10 Density-Functional Theory (DFT) 711
19.11 Semiempirical Methods 717
19.12 Performing Quantum Chemistry Calculations 720
19.13 The Molecular-Mechanics (MM) Method 723
