Parallel MP2-energy evaluation: Simulate
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Limaye, Ajay C.
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Article
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1997
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John Wiley and Sons
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English
β 155 KB
π 1 views
A parallel algorithm for four-index transformation and MP2 energy evaluation, Ε½ . for distributed memory parallel MIMD machines is presented. The underlying serial algorithm for the present parallel effort is the four-index transform. The scheme works through parallelization over AO integrals and, t