Article,

Communications: Accurate and efficient approximations to explicitly correlated coupled-cluster singles and doubles, CCSD-F12

, , and .
J. Chem. Phys., 132 (23): 231102 (2010)
DOI: 10.1063/1.3442368

Abstract

We propose a novel explicitly correlated$\backslash$ncoupled-cluster singles and doubles method$\backslash$nCCSD(F12*), which retains the accuracy of$\backslash$nCCSD-F12 while the computational costs are only$\backslash$ninsignificantly larger than those for a conventional$\backslash$nCCSD calculation.

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