34 citations · 45 across the 7 of their papers we have counts for
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physics.chem-ph2021★ 7 cited
A correctly scaling rigorously spin-adapted and spin-complete open-shell CCSD implementation for arbitrary high-spin states
Nils Herrmann, Michael Hanrath
In this paper, we report on a correctly scaling novel coupled cluster singles and doubles (CCSD) implementation for arbitrary high-spin open-shell states. The chosen cluster operat…
physics.chem-ph2021★ 4 cited
Analysis of Different Sets of Spin-Adapted Substitution Operators in Open-Shell Coupled Cluster Theory
Nils Herrmann, Michael Hanrath
In spin-adapted open-shell coupled cluster (CC) theory, the choice of spin-free spatial substitution operators is generally not unique. Due to an increasing linear dependence of th…