David W. Small

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20182020

most citedExcited States via Coupled Cluster Theory without Equation-of-Motion Methods: Seeking Higher Roots with Application to Doubly Excited States and Double Core Hole States

82 citations · 131 across the 4 of their papers we have counts for

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physics.chem-ph2020

The remarkable accuracy of an $O (N^{6})$ perturbative correction to opposite-spin CCSD: are triples necessary for chemical accuracy in coupled cluster?

David W. Small

The focus of this work is OS-CCSD-SPT(2), which is a second-order similarity transformed perturbation theory correction to opposite spin coupled cluster singles doubles, where in t…

The remarkable accuracy of an O(N6) perturbative correction to opposite-spin CCSD: are triples necessary for chemical accuracy in coupled cluster?

The remarkable accuracy of an $O (N^{6})$ perturbative correction to opposite-spin CCSD: are triples necessary for chemical accuracy in coupled cluster?