Computational Atomic Structure: An MCHF Approach, 1st Edition (Paperback) book cover

Computational Atomic Structure

An MCHF Approach, 1st Edition

By Charlotte Froese-Fischer

Routledge

244 pages

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Description

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

Angular Momentum Theory

Hartree-Fock Calculations

Multiconfiguration Hartree-Fock Wavefunctions

Two-Electron Systems

Correlation in Many-Electron Calculations

Relativistic Effects

Isotope and Hyperfine Effects

Allowed and Forbidden Transitions

MCHF Continuum Wavefunctions

About the Author

Charlotte Fischer-Froese Vanderbilt University, T Brage Lund University Sweden.

Subject Categories

BISAC Subject Codes/Headings:
SCI051000
SCIENCE / Nuclear Physics
SCI055000
SCIENCE / Physics
SCI074000
SCIENCE / Molecular Physics