Handbook of molecular physics and quantum chemistry
著者
書誌事項
Handbook of molecular physics and quantum chemistry
Wiley, c2003
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注記
Associate editors: Peter F. Bernath, Roy McWeeny
内容説明・目次
内容説明
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 Introduction
Part 2 Elements of Quantum Mechanics
Part 3 Orbital Models for Atomic, Molecular and Crystal Structure
Part 4 Symmetry Groups and Molecular Structure
Part 5 Second Quantization and Many-Body Methods
Part 6 Approximate Separation of Electronic and Nuclear Motion
Part 7 Quantum Electrodynamics of Atoms and Molecules
The 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 electron
correlation 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 methods
Part 2 Orbital Models and Generalized Product Functions
Part 3 Electron correlation
Part 4 Relativistic molecular electronic structure
Part 5 Electronic structure of large molecules
Part 6 Computational quantum chemistry
Part 7 Visualization and interpretation of molecular electronic structure
In 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 methods
Part 2 Interactions between molecules
Part 3 Molecules in different environments
Part 4 Molecular Electronic spectra
Part 5 Atomic Spectroscopy and Molecular Vibration-Rotation Spectroscopy
Part 6 Molecular dynamics and dynamical processes
Part 7 Bulk properties
目次
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.
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