212 citations · 913 across the 37 of their papers we have counts for
Showing 2021 · physics.chem-phShow all
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physics.chem-ph2021★ 1 cited
Spin-orbit coupling matrix elements from the explicitly connected expressions of the response functions within the coupled-cluster theory
Aleksandra Maria Tucholska, Michał Lesiuk, Robert Moszynski
In this work we present a coupled cluster based approach to the computation of the spin orbit coupling matrix elements. The working expressions are derived from the quadratic respo…
physics.chem-ph2021★ 1 cited
Quintic-scaling rank-reduced coupled cluster theory with single and double excitations
Michał Lesiuk
We consider the rank-reduced coupled-cluster theory with single and double excitations (RR-CCSD) introduced recently [Parrish \emph{et al.}, J. Chem. Phys. {\bf 150}, 164118 (2019)…
physics.chem-ph2021
Near-exact CCSDT energetics from rank-reduced formalism supplemented by non-iterative corrections
Michał Lesiuk
We introduce a non-iterative energy correction, added on top of the rank-reduced coupled-cluster method with single, double, and triple substitutions, that accounts for excitations…