Assessment of low-scaling approximations to the equation of motion coupled-cluster singles and doubles equations.

Abstract

Methods for fast and reliable computation of electronic excitation energies are in short supply, and little is known about their systematic performance. This work reports a comparison of several low-scaling approximations to the equation of motion coupled cluster singles and doubles (EOM-CCSD) and linear-response coupled cluster singles and doubles (LR-CCSD… (More)
DOI: 10.1063/1.4898709

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