Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12
We propose a novel explicitly correlated coupled-cluster singles and doubles method CCSD(F12(*)), which retains the accuracy of CCSD-F12 while the computational costs are only insignificantly larger than those for a conventional CCSD calculation.
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| Published in | The Journal of chemical physics Vol. 132; no. 23; p. 231102 |
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| Main Authors | , , |
| Format | Journal Article |
| Language | English |
| Published |
United States
21.06.2010
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| Online Access | Get more information |
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| Summary: | We propose a novel explicitly correlated coupled-cluster singles and doubles method CCSD(F12(*)), which retains the accuracy of CCSD-F12 while the computational costs are only insignificantly larger than those for a conventional CCSD calculation. |
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| ISSN: | 1089-7690 |
| DOI: | 10.1063/1.3442368 |