18 citations · 77 across the 7 of their papers we have counts for
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Atomic Radial Correlation Energy Density Components
Ibrahim E. Awad, Abd Al-Aziz A. Abu-Saleh, Gurleen Cheema +2
The components of the radial correlation energy density are calculated and analyzed for the atoms from He to Ar. The components include the nucleus-electron potential correlation e…
NO and the complexities of electron correlation in simple hydrogen clusters
Ismael A. Elayan, Rishabh Gupta, Joshua W. Hollett
The NO two-electron density matrix (2-RDM) and energy expression are derived from a multideterminantal wave function. The approximate NO 2-RDM is combined with an on-top dens…
Measuring correlated electron motion in atoms with the momentum-balance density
Lucy G. Todd, Joshua W. Hollett
Three new measures of relative electron motion are introduced: equimomentum, antimomentum, and momentum-balance. The equimomentum is the probability that two electrons have the exa…
Capturing static and dynamic correlation with -MP2 and -CCSD
Joshua W. Hollett, Pierre-François Loos
The method for static correlation is combined with second-order Møller-Plesset perturbation theory (MP2) and coupled-cluster singles and doubles (CCSD) to account for…
Resolutions of the Coulomb operator: VI. Computation of auxiliary integrals
Taweetham Limpanuparb, Joshua W. Hollett, Peter M. W. Gill
We discuss the efficient computation of the auxiliary integrals that arise when resolutions of two-electron operators (specifically, the Coulomb and long-range Ewald operators) are…