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Unlimited full configuration interaction calculations

✍ Scribed by Knowles, Peter J.; Handy, Nicholas C.


Book ID
120983044
Publisher
American Institute of Physics
Year
1989
Tongue
English
Weight
465 KB
Volume
91
Category
Article
ISSN
0021-9606

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Very large full configuration interactio
✍ Peter J. Knowles πŸ“‚ Article πŸ“… 1989 πŸ› Elsevier Science 🌐 English βš– 436 KB

The extreme sparsity of the solution of the full configuration interaction (full CI) secular equations is exploited in a new algorithm. For very large problems, the high speed memory, disk storage, and CPU requirements are reduced considerably, compared to previous techniques. This allows the possib