When Gold Is Not Enough: Platinum Standard of Quantum Chemistry with N7 Cost
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DOI: 10.1021/acs.jctc.2c00460
Abstract: In this paper, we extend the rank-reduced coupled-cluster formalism to the calculation of non-iterative energy corrections due to quadruple excitations. There are two major components of the proposed formalism. The first is an approximate compression… read more here.
Keywords: cost; chemistry; standard quantum; platinum standard ... See more keywords