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9780198559474

Molecular Quantum Mechanics

by ;
  • ISBN13:

    9780198559474

  • ISBN10:

    019855947X

  • Edition: 3rd
  • Format: Paperback
  • Copyright: 1999-10-07
  • Publisher: Oxford University Press
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List Price: $76.80

Summary

Molecular Quantum Mechanics established itself as a classic as soon as the original edition appeared. Maintaining the important and essential spirit of the earlier editions, this third edition remains in the forefront of its field. The book has been entirely rewritten to present the subject more clearly than ever before, and the use of two-color art helps to make the text even more accessible. The text remains unique in the range of topics it covers, from the foundations of quantum mechancis to applications such as spectroscopy and the electric and magnetic properties of matter. Two entirely new chapters have been added to this third edition. One is an introduction to computational techniques in quantum chemistry and the other is an introduction on scattering theory. Anyone teaching courses using quantum mechanics, particularly quantum chemistry, will not only find this volume authoritative but highly approachable as well.

Author Biography

Ronald Friedman is Professor, Department of Chemistry, Indiana University Purdue University Fort Wayne, USA. Peter Atkins is Professor of Chemistry, and Fellow of Lincoln College, University of Oxford, UK.

Table of Contents

Introduction And Orientation
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
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
Rotational Motion And The Hydrogen Atom
Particle on a ring
Particle on a sphere
Particle in a coulombic field
Angular Momentum
The angular momentum operators
The definition of the states
The angular momenta of composite systems
Problems
Group Theory
The Symmetries of objects
The calculus of symmetry
Reduced representations
The symmetry properties of functions
The full rotation group
Applications
Techniques Of Approximation
Time-independent perturbation theory
Variation theory
The Hellmann-Feynman theorem
Time-dependent perturbation theory
Atomic Spectra And Atomic Structure
The spectrum of atomic hydrogen
The structure of helium
Many-electron atoms
Atoms in external fields
An Introduction To Molecular Structure
The born-oppenheimer approximation
Molecular orbital theory
Molecular orbital theory of polyatomic molecules
The band theory of solids
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
Molecular Rotations And Vibrations
Spectroscopic transitions
Molecular rotation
The vibrations of diatomic molecules
The vibrations of polyatomic molecules
Appendix: Centrifugal distortion
Molecular Electronic Transitions
The states of diatomic molecules
Vibronic transitions
The electronic spectra of polyatomic molecules
The fates of excited species
The Electric Properties Of Molecules
The response to electric fields
Bulk electrical properties
Optical activity
The Magnetic Properties Of Molecules
The descriptions of magnetic fields
Magnetic Perturbations
Magnetic Resonance Parameters
Scattering Theory
The formulation of scattering events
Partical-wave stationary scattering states
Multichannel scattering
Table of Contents provided by Publisher. All Rights Reserved.

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