Distributed memory parallel implementation of energies and gradients for second-order Møller-Plesset perturbation theory with the resolution-of-the-identity approximation
We present a parallel implementation of second-order Møller-Plesset perturbation theory with the resolution-of-the-identity approximation (RI-MP2). The implementation is based on a recent improved sequential implementation of RI-MP2 within the Turbomole program package and employs the message passin...
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| Published in: | Physical chemistry chemical physics : PCCP Vol. 8; no. 10; p. 1159 |
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| Main Authors: | , , |
| Format: | Journal Article |
| Language: | English |
| Published: |
England
14.03.2006
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| ISSN: | 1463-9076 |
| Online Access: | Get more information |
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