An efficierit method of hkndlioglargc scale confguation interaction calculations is developed and-applied to the : fi2O.moiewIe as a test casti: The method, which is based upon matrix partitioning, is shown to be &pable of calculating "2 'Bt s~ctrum of H20 to ti accuracy level of 0.1 eV for each sta
An efficient method for the evaluation of coupling coefficients in configuration interaction calculations
β Scribed by Peter J. Knowles; Hans-Joachim Werner
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 733 KB
- Volume
- 145
- Category
- Article
- ISSN
- 0009-2614
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