Improving the efficiency of the multireference driven similarity renormalization group via sequential transformation, density fitting, and the non-interacting virtual orbital approximation.
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DOI: 10.1021/acs.jctc.9b00353
Abstract: This study examines several techniques to improve the efficiency of the linearized multireference driven similarity renormalization group truncated to one- and two-body operators [MR-LDSRG(2)]. We propose a sequential MR-LDSRG(2) [sq-MR-LDSRG(2)] approach, in which one-body substitutions… read more here.
Keywords: similarity renormalization; multireference; renormalization group; approximation ... See more keywords