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Full configuration interaction benchmark calculations for transition moments

โœ Scribed by Charles W. Bauschlicher; Stephen R. Langhoff


Book ID
104791376
Publisher
Springer
Year
1988
Tongue
English
Weight
615 KB
Volume
73
Category
Article
ISSN
1432-2234

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๐Ÿ“œ SIMILAR VOLUMES


Very large full configuration interactio
โœ Peter J. Knowles ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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