Computational Atomic Structure : An MCHF Approach book cover
1st Edition

Computational Atomic Structure
An MCHF Approach

ISBN 9781315139999
Published February 13, 2022 by Routledge
280 Pages

FREE Standard Shipping

What are VitalSource eBooks?

Prices & shipping based on shipping country


Book 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


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

View More