A concept of nonredundant sets of primitive gaussian basis functions is described, which proved highly efficient for rapid computing all sets of electron-repulsion integrals. Combination of the RT parallel algorithm with the nonredundant method demonstrated performance faster than the GAMESS AMESS p
Methods for rapid evaluation of electron repulsion integrals in large-scale LCGO calculations
✍ Scribed by Jan Erik Almlöf
- Book ID
- 105887010
- Publisher
- Springer
- Year
- 1997
- Tongue
- English
- Weight
- 245 KB
- Volume
- 97
- Category
- Article
- ISSN
- 1432-2234
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