most citedCoupling between thermochemical contributions of subvalence correlation and of higher-order post-CCSD(T) correlation effects -- a step toward `W5 theory'

4 citations · 5 across the 2 of their papers we have counts for

collaborators

2 papers

physics.chem-ph2026★ 4 cited

Coupling between thermochemical contributions of subvalence correlation and of higher-order post-CCSD(T) correlation effects -- a step toward `W5 theory'

Aditya Barman, Gregory H. Jones, Kaila E. Weflen +2

We consider the thermochemical impact of post-CCSD(T) contributions to the total atomization energy (TAE, the sum of all bond energies) of first- and second-row molecules, and spec…

physics.chem-ph2025★ 1 cited

Toward an affordable density-based measure for the quality of a coupled cluster calculation

Gregory H. Jones, Kaila E. Weflen, Jan M. L. Martin

We propose two new diagnostics for the degree to which static correlation impacts the quality of a coupled cluster calculation. The first is the change in the Matito static correla…