Computational Atomic Structure: An MCHF Approach

by Froese-Fischer; Charlotte

• ISBN13: 9780750304665
• ISBN10: 0750304669
• Format: Nonspecific Binding
• Copyright: 1997-01-01
• Publisher: CRC Press

Summary

Computational Atomic Structure: An MCHF Approach deals with the field of computational atomic structure, specifically with the multiconfiguration Hartree-Fock (MCHF) approach and the manner in which this approach is used in modern physics. Beginning with an introduction to computational algorithms and procedures for atomic physics, the book describes the theory underlying nonrelativistic atomic structure calculations (making use of Brett-Pauli corrections for relativistic effects) and details how the MCHF atomic structure software package can be used to this end. The book concludes with a treatment of atomic properties, such as energy levels, electron affinities, transition probabilities, specific mass shift, fine structure, hyperfine-structure, and autoionization. This modern, reliable exposition of atomic structure theory proves invaluable to anyone looking to make use of the authors' MCHF atomic structure software package, which is available publicly via the Internet.

Table of Contents

Preface
Acknowledgments
Introduction	p. 1
Configuration State Functions and Matrix Elements of the Hamiltonian	p. 22
Hartree-Fock Calculations	p. 35
Multiconfiguration Hartree-Fock Wave Functions	p. 67
Two-Electron Systems	p. 88
Correlation in Many-Electron Systems	p. 105
Relativistic Effects	p. 129
Isotope and Hyperfine Effects	p. 151
Allowed and Forbidden Transitions	p. 179
MCHF Continuum Wave Functions	p. 217
Angular Momentum Theory	p. 240
The Dirac and Breit-Pauli Theory	p. 251
Fundamental Constants	p. 260
Program Input Parameters	p. 263
References	p. 273
Index	p. 277
Table of Contents provided by Blackwell. All Rights Reserved.