most citedEnabling rapid and accurate construction of CCSD(T)-level potential energy surface of large molecules using molecular tailoring approach

14 citations · 14 across the 1 of their papers we have counts for

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1 paper

physics.chem-ph2021★ 14 cited

Enabling rapid and accurate construction of CCSD(T)-level potential energy surface of large molecules using molecular tailoring approach

Subodh S. Khire, Nalini D. Gurav, Apurba Nandi +1

The construction of the potential energy surface (PES) of even a medium-sized molecule employing correlated theory, such as CCSD(T), is an arduous task due to the high computationa…