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
Full configuration interaction calculations on Be2
β Scribed by Stefano Evangelisti; Gian Luigi Bendazzoli; Laura Gagliardi
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 855 KB
- Volume
- 185
- Category
- Article
- ISSN
- 0301-0104
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