Molecular Quantum Mechanics Book

INTRODUCTION AND ORIENTATION
1. THE FOUNDATIONS OF QUANTUM MECHANICS
Operators in quantum mechanics The postulates of quantum mechanics The specification of evolution of states Matrices in quantum mechanics The plausibility of the schrödinger equation Exercises
2. LINEAR MOTION AND THE HARMONIC OSCILLATOR
The characteristics of acceptable wave functions Some general remarks on the schrödinger equation Translational motion Penetration into and through barriers Place in a box The harmonic oscillator Translation revisted: the scattering matrix
3. ROTATIONAL MOTION AND THE HYDROGEN ATOM
Particle on a ring Particle on a sphere Particle in a coulombic field
4. ANGULAR MOMENTUM
The angular momentum operators The definition of the states The angular momenta of composite systems Problems
5. GROUP THEORY
The Symmetries of objects The calculus of symmetry Reduced representations The symmetry properties of functions The full rotation group Applications
6. TECHNIQUES OF APPROXIMATION
Time-independent perturbation theory Variation theory The Hellmann-Feynman theorem Time-dependent perturbation theory
7. ATOMIC SPECTRA AND ATOMIC STRUCTURE
The spectrum of atomic hydrogen The structure of helium Many-electron atoms Atoms in external fields
8. AN INTRODUCTION TO MOLECULAR STRUCTURE
The born-oppenheimer approximation Molecular orbital theory Molecular orbital theory of polyatomic molecules The band theory of solids
9. THE CALCULATIONS OF ELECTRONIC STRUCTURE
The Hartree-Fock Self-consistent field method Electron correlation Density Functional Theory Gradient Methods and Molecular Properties Semiempirical methods Molecular mechanics Software packages for electronic structure calculations Problems
10 MOLECULAR ROTATIONS AND VIBRATIONS
Spectroscopic transitions Molecular rotation The vibrations of diatomic molecules The vibrations of polyatomic molecules Appendix: Centrifugal distortion
11. MOLECULAR ELECTRONIC TRANSITIONS
The states of diatomic molecules Vibronic transitions The electronic spectra of polyatomic molecules The fates of excited species
12. THE ELECTRIC PROPERTIES OF MOLECULES
The response to electric fields Bulk electrical properties Optical activity
13.THE MAGNETIC PROPERTIES OF MOLECULES
The descriptions of magnetic fields Magnetic Perturbations Magnetic Resonance Parameters
14. SCATTERING THEORY
The formulation of scattering events Partical-wave stationary scattering states Multichannel scattering