Local Møller-Plesset Perturbation Theory: A Massively Parallel Algorithm
A massively parallel algorithm is presented for computation of energies with local second-order Møller-Plesset (LMP2) perturbation theory. Both the storage requirement and the computational time scale linearly with the molecular size. The parallel algorithm is designed to be scalable, employing a di...
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| Published in: | Journal of chemical theory and computation Vol. 3; no. 1; p. 71 |
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| Main Authors: | , |
| Format: | Journal Article |
| Language: | English |
| Published: |
United States
01.01.2007
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| ISSN: | 1549-9618 |
| Online Access: | Get more information |
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