Handbook of Molecular Physics and Quantum Chemistry, 3 Volume Set

by Wilson, Stephen; Bernath, Peter F.; McWeeny, Roy

• ISBN13: 9780471623748
• ISBN10: 0471623741
• Edition: 1st
• Format: Hardcover
• Copyright: 2003-03-07
• Publisher: WILEY

Summary

Published in three volumes, this comprehensive reference work brings together in a single source for the first time, a detailed presentation of the most important theoretical concepts and methods for the study of molecules and molecular systems.The logical format of the Handbook allows the reader to progress from the foundations of the field to the most important and exciting areas of current research. Edited and written by an outstanding international team, and containing over 100 articles written by more than 50 contributors, it will be invaluable for both the expert researcher and the graduate student or postdoctoral worker active in any of the broad range of fields where these concepts and methods are important.Comprises three themed volumes: Fundamentals Molecular Electronic Structure Molecules in the Physico-Chemical Environment: Spectroscopy, Dynamics and Bulk Properties Presents detailed articles covering the key topics, presented in a didactic manner Focuses both on theory and the relation of experiment to theory Volume 1, Fundamentals presents the foundations of molecular physics and quantum chemistry. It consists of 7 parts arranged as follows:-Part 1 IntroductionPart 2 Elements of Quantum MechanicsPart 3 Orbital Models for Atomic, Molecular and Crystal StructurePart 4 Symmetry Groups and Molecular StructurePart 5 Second Quantization and Many-Body MethodsPart 6 Approximate Separation of Electronic and Nuclear MotionPart 7 Quantum Electrodynamics of Atoms and MoleculesThe central problem of molecular physics and quantum chemistry is the description of atomic and molecular electronic structure. The development of appropriate models for the description of the effects of electroncorrelation and of relativity are key components of the analysis. Volume 2, Molecular Electronic Structure, addresses these topics, and consists of 7 parts arranged as follows:Part 1 Approximation methodsPart 2 Orbital Models and Generalized Product FunctionsPart 3 Electron correlationPart 4 Relativistic molecular electronic structurePart 5 Electronic structure of large moleculesPart 6 Computational quantum chemistryPart 7 Visualization and interpretation of molecular electronic structureIn reality no molecular system exists in isolation. Molecules interact with other atoms and molecules, and with their environment. Volume 3, Molecules in the Physico-Chemical Environment - Spectroscopy, Dynamics and Bulk Properties, consists of 7 parts arranged as follows:-Part 1 Response theory and propagator methodsPart 2 Interactions between moleculesPart 3 Molecules in different environmentsPart 4 Molecular Electronic spectraPart 5 Atomic Spectroscopy and Molecular Vibration-Rotation SpectroscopyPart 6 Molecular dynamics and dynamical processesPart 7 Bulk properties

Author Biography

Peter Bernath was born in Ottawa, Ontario, Canada and was educated at the University of Waterloo (B. Sc. in chemistry 1976) and Massachusetts Institute of Technology (Ph. D. in physical chemistry 1980). After a post-doctoral stint at the Herzberg Institute of Astrophysics of the National Research Council of Canada, he began his academic career at the University of Arizona in 1982. In 1991, he moved to the University of Waterloo as Professor of Chemistry and of Physics and now holds an Industrial Research Chair in Fourier Transform Spectroscopy. Prof. Bernath has interests in high resolution spectroscopy of molecules with applications in astronomy and atmospheric science. He is the author of the textbook <I>Spectra of Atoms and Molecules</I>.

Table of Contents

Volume 1.

Introduction.

Elements of quantum mechanics.

Orbital models for atomic, molecular and crystal structure.

Symmetry groups and molecular structure.

Second quantization and many-body methods.

Approximate separation of electronic and nuclear motion.

Quantum electrodynamics of atoms and molecules.

Volume 2.

Approximation methods.

Orbital models and generalized product functions.

Electron correlation.

Relativistic molecular electronic structure.

Electronic structure of large molecules.

Computational quantum chemistry.

Visualization and interpretation of molecular electronic structure.

Volume 3.

Response theory and propagator methods.

Interactions between molecules.

Molecules in different environments.

Molecular electronic spectroscopy.

Atomic spectroscopy and molecular vibration-rotation spectroscopy.

Molecular dynamics and dynamical processes.

Bulk properties.