Preface
1. ATOMS AND PHOTONS
1.1 Atomic and Subatomic Particles
1.2 Electromagnetic Waves
1.3 Three Failures of Classical Physics
1.4 Blackbody Radiation
1.5 The Photoelectric Effect
1.6 Line Spectra
1A. Maxwell's Equations
1B. Planck Radiation Law
2. WAVES AND PARTICLES
2.1 Double-Slit Experiment
2.2 Wave-Particle Duality
2.3 The Schrƒodinger Equation
2.4 Operators and Eigenvalues
2.5 The Wavefunction Exercises
3 SIMPLE SYSTEMS
3.1 Free Particle
3.2 Particle in a Box
3.3 Free-Electron Model
3.4 Three-Dimensional Box
Exercises
4. PRINCIPLES OF QUANTUM MECHANICS
4.1 Hermitian Operators
4.2 Eigenvalues and Eigenfunctions
4.3 Expectation Values
4.4 More on Operators
4.5 Postulates of Quantum Mechanics
4.6 Dirac Notation
4.7 Variational Principle
4.8 Spectroscopic Transitions
4A. Radiative Transitions Exercises
5. HARMONIC OSCILLATOR
5.1 Classical Oscillator
5.2 Quantum Harmonic Oscillator
5.3 Eigenfunctions and Eigenvalues
5.4 Operator Formulation
5.5 Quantum Theory of Radiation
5A. Gaussian Integrals
5B. Hermite Polynomials
Exercises
6. ANGULAR MOMENTUM
6.1 Particle in a Ring
6.2 Free Electron Model
6.3 Spherical Polar Coordinates
6.4 Rotation in Three Dimensions
6.5 Theory of Angular Momentum
6.6 Electron Spin
6.7 Addition of Angular Momenta
6A. Curvilinear Coordinates
6B. Spherical Harmonics
6C. Pauli Spin Algebra
7. HYDROGEN ATOM
7.1 Atomic Spectra
7.2 The Bohr Atom
7.3 Hydrogenlike Atoms
7.4 Ground State
7.5 Atomic Orbitals
7.6 p- and d-Orbitals
7.7 Summary on Atomic Orbitals
7.8 Reduced Mass
7A. Laguerre Polynomials
Exercises
8. HELIUM ATOM
8.1 Experimental Energies
8.2 Variational Calculations
8.3 Spinorbitals and the Exclusion Principle
8.4 Excited States of Helium
Exercises
9. ATOMIC STRUCTURE
9.1 Slater Determinants
9.2 Aufbau Principles
9.3 Atomic Configurations and Term Symbols
9.4 Periodicity of Atomic Properties
9.5 Relativistic Effects
9.6 Spiral Periodic Table
9.7 Self-Consistent Field
Exercises
10. THE CHEMICAL BOND
10.1 The Hydrogen Molecule
10.2 Valence Bond Theory
10.3 Molecular Geometry
10.4 Hypervalent Compounds
10.5 Valence-Shell Model
10.6 Transition Metal Complexes
10.7 The Hydrogen Bond
10.8 Critique of Valence-Bond Theory
Exercises
11. DIATOMIC MOLECULE ORBITALS
11.1 Hydrogen Molecule-Ion
11.2 LCAO Approximation
11.3 Homonuclear Diatomics
11.4 Variational Computations
11.5 Heteronuclear Molecules
11.6 Electronegativity Exercises
12. POLYATOMIC MOLECULES
12.1 Hƒuckel MO's
12.2 Woodward-HoÆmann
12.3 Metals and Semiconductors
12.4 Computational Chemistry
12.5 Density Functional Theory
Exercises
13. MOLECULAR SYMMETRY
13.1 The Ammonia Molecule
13.2 Group Theory
13.3 Quantum Mechanics
13.4 Molecular Orbitals for Ammonia
13.5 Selection Rules
13.6 The Water Molecule
13.7 Walsh Diagrams
13.8 Molecular Symmetry Groups
13.9 Dipole Moments and Optical Activity
13.10 Character tables Exercises
14. MOLECULAR SPECTROSCOPY
14.1 Vibration of Diatomic Molecules
14.2 Vibration of Polyatomic Molecules
14.3 Rotation of Diatomic Molecules
14.4 Rotation-Vibration Spectra
14.5 Molecular Parameters from Spectroscopy
14.6 Rotation of Polyatomic Molecules
14.7 Electronic Excitations
14.8 Lasers
14.9 Raman Spectroscopy
Exercises
15. NUCLEAR MAGNETIC RESONANCE
15.1 Magnetic Properties of Nuclei
15.2 Nuclear Magnetic Resonance
15.3 The Chemical Shift
15.4 Spin-Spin Coupling
15.5 Mechanism for Spin-Spin Interactions
15.6 Magnetization and Relaxation Processes
15.7 Pulse Techniques and Fourier Transforms
15.8 Two-Dimensional NMR
15.9 Magnetic Resonance Imaging
Exercises
16. WONDERS OF THE QUANTUM WORLD
16.1 The Copenhagen Interpretation
16.2 Superposition
16.3 Schrƒodinger's Cat
16.4 Einstein-Podolsky-Rosen Experiment
16.5 Bell's Theorem
16.6 Aspect's Experiment
16.7 Multiple Photon Entanglement
16.8 Quantum Computers
Exercises
Suggested References
Answers to Exercises