15 citations · 35 across the 8 of their papers we have counts for
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physics.chem-ph2023★ 8 cited
Aufbau Suppressed Coupled Cluster Theory for Electronically Excited States
Harrison Tuckman, Eric Neuscamman
We introduce an approach to improve single-reference coupled cluster theory in settings where the Aufbau determinant is absent from or plays only a small role in the true wave func…
physics.chem-ph2023★ 11 cited
Studying excited-state-specific perturbation theory on the Thiel set
Rachel Clune, Jacqueline A. R. Shea, Tarini Hardikar +2
We explore the performance of a recently-introduced -scaling excited-state-specific second order perturbation theory (ESMP2) on the singlet excitations of the Thiel benchmarki…
physics.chem-ph2023★ 15 cited
An Excited-State-Specific Pseudoprojected Coupled-Cluster Theory
Harrison Tuckman, Eric Neuscamman
We present an excited-state-specific coupled-cluster approach in which both the molecular orbitals and cluster amplitudes are optimized for an individual excited state. The theory…