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

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Abstract

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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Hättig et al. (Wed,) studied this question.

synapsesocial.com/papers/6a1fbe9bf6d7a6584d8d9f0d https://doi.org/https://doi.org/10.1063/1.3442368

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