The journal of physical chemistry. A
Rank-Reduced Equation-of-Motion Coupled Cluster Formalism with Full Inclusion of Triple Excitations.
Piotr Michalak, Michał Lesiuk
Published: 202510.1021/acs.jpca.5c05908
Abstract
In this work, we describe the rank-reduced variant of the equation-of-motion coupled cluster theory with complete inclusion of single, double, and triple excitations. The advantage of the proposed formalism, in comparison with the canonical theory, s…
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