A new parallel algorithm of MP2 energy calculations
A new parallel algorithm has been developed for second-order Møller-Plesset perturbation theory (MP2) energy calculations. Its main projected applications are for large molecules, for instance, for the calculation of dispersion interaction. Tests on a moderate number of processors (2-16) show that t...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 27(2006), 4 vom: 20. März, Seite 407-13 |
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| 1. Verfasser: | |
| Weitere Verfasser: | , |
| Format: | Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2006
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S. Firefly Luciferin 5TBB02N29K Paclitaxel P88XT4IS4D |