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Factorization of the wave-function coefficients in configuration-interaction expansions

✍ Scribed by Evangelisti *, Stefano


Book ID
127138776
Publisher
Taylor and Francis Group
Year
2005
Tongue
English
Weight
165 KB
Volume
103
Category
Article
ISSN
0026-8976

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πŸ“œ SIMILAR VOLUMES


Calculation of the one-electron coupling
✍ WΕ‚odzisΕ‚aw Duch πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 447 KB

Recently a new direct CI method was proposed by Siegbahn. In his approach a large list of formulas containing one-electron coupling coefficients is made, creating storage problems and high I/O rates. A method to calculate these coefficients is described and tests performed showing that on the CRAY-1