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Matrix elements in configuration interaction calculations

โœ Scribed by Fukashi Sasaki

Publisher
John Wiley and Sons
Year
1974
Tongue
English
Weight
492 KB
Volume
8
Category
Article
ISSN
0020-7608

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โœฆ Synopsis

Abstract

A method is proposed for the calculation of matrix elements among various states of atoms. A set of tensor operators is the only entity in the formalism, and all formulas involve merely the vacuum expectation values of these tensor operators and the recoupling transformation coefficients. Some numerical examples are given for the Coulomb interaction matrix elements.

๐Ÿ“œ SIMILAR VOLUMES

Efficient generation of configuration in
Efficient generation of configuration interaction matrix elements
โœ Ross W. Wetmore; Gerald A. Segal ๐Ÿ“‚ Article ๐Ÿ“… 1975 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 609 KB

A method for the efficient generation of CI marris elements over spin eigenfunctions is presented. Practical application of the approach is iinited to configurations with about 10 open shells, but the algorithm results in the generation of more than 2200 mntris elementslsecond on nn Il3hi 370/158 co