Quantum Chemistry and Molecular Interactions
A Introduction: Tools from Math and Physics
A.1 Mathematics
A.2 Classical physics
I Atomic Structure
1 Classical and Quantum Mechanics
1.1 Introduction to the Text
1.2 The Classical World
1.3 The Quantum World
1.4 One-Electron Atoms
1.5 Merging the Classical and Quantum Worlds
2 The Schrödinger Equation
2.1 Mathematical Tools of Quantum Mechanics
2.2 Fundamental Examples
3 One-Electron Atoms
3.1 Solving the One-Electron Atom Schrödinger Equation
3.2 The One-Electron Atom Orbital Wavefunctions
3.3 Electric Dipole Interactions
3.4 Magnetic Dipole Interactions
4 Many-Electron Atoms
4.1 Many-Electron Spatial Wavefunctions
4.2 Approximate Solution to the Schrodinger Equation
4.3 Spin Wavefunctions and Symmetrization
4.4 Vector Model of the Many-Electron Atom
4.5 Periodicity of the Elements
4.6 Atomic Structure: The Key to Chemistry
II Molecular Structure
5 Chemical Bonds
5.1 The Molecular Hamiltonian
5.2 The Molecular Wavefunction
5.3 Covalent Bonds in Polyatomic Molecules
5.4 Non-Covalent Bonds
5.5 Nuclear Magnetic Resonance Spectroscopy
6 Molecular Symmetry
6.1 Group Theory
6.2 Symmetry Representations for Wavefunctions
6.3 Selection Rules
6.4 Selected Applications
7 Electronic States of Molecules
7.1 Molecular Orbital Configurations
7.2 Electronic States
7.3 Computational Methods for Molecules
7.4 Energetic Processes
8 Vibrational States of Molecules
8.1 The Vibrational Schrödinger Equation
8.2 Vibrational Energy Levels in Diatomics
8.3 Vibrations in Polyatomics
8.4 Spectroscopy of Vibrational States
9 Rotational States of Molecules
9.1 Rotations in Diatomics
9.2 Rotations in Polyatomics
9.3 Spectroscopy of Rotational States
III Molecular Interactions
10 Intermolecular Forces
10.1 Intermolecular Potential Energy
10.2 Molecular Collisions
11 Nanoscale Chemical Structure
11.1 The Nano Scale
11.2 Clusters
11.3 Macromolecules
12 The Structure of Liquids
12.1 The Qualitative Nature of Liquids
12.2 Weakly Bonded Pure Liquids
12.3 Solvation
13 The Structure of Solids
13.1 Amorphous Solids, Polymers, and Crystals
13.2 Symmetry in Crystals
13.3 Bonding Mechanisms and Properties of Crystals
13.4 Wavefunctions and Energies of Solids
