Synopses & Reviews
Quantum mechanics embraces the behaviour of all known forms of matter, including the atoms and molecules from which we, and all living organisms, are composed.
Molecular Quantum Mechanics leads us through this absorbing yet challenging subject, unravelling those fundamental physical principles which explain how all matter behaves.
With the clarity of exposition and rich pedagogy which have established the book as a leading text in the field, Molecular Quantum Mechanics takes us from the foundations of quantum mechanics, through quantum models of atomic, molecular, and electronic structure, and on to discussions of spectroscopy, and the electronic and magnetic properties of molecules. Lucid explanations and illuminating artworks help to visualise the many abstract concepts upon which the subject is built.
Fully updated to reflect the latest advances in computational techniques, and enhanced with more mathematical support and worked examples than ever before, Molecular Quantum Mechanics remains the ultimate resource for those wishing to master this important subject.
Supplementary resources
Companion web site, featuring:
Illustrations available to download
Solutions manual available to download [instructors only]
Review
"This is a truly outstanding text. Beautifully done."--Russell Bowers,
University of Florida, Gainesville"Very thorough text. Very high quality. Clear, concise, and illustrative. An excellent teaching and learning tool."--Stewart F. Bush, University of North Carolina, Charlotte
Synopsis
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.
Table of Contents
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