Table of contents for Molecular quantum mechanics.


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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 schrodinger equation
Exercises
2. LINEAR MOTION AND THE HARMONIC OSCILLATOR
The characteristics of acceptable wave functions
Some general remarks on the schrodinger 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



Library of Congress subject headings for this publication:
Quantum chemistry.