1 citations · 1 across the 2 of their papers we have counts for
3 papers
An F12 Correction for Multicomponent MP2
Mary J. Richardson, Gabrielle B. Tucker, Kurt R. Brorsen
Multicomponent methods treat both electrons and nuclei quantum mechanically using the standard machinery of electronic structure theory. Previous work has demonstrated that quantit…
Constrained nuclear-electronic orbital second-order Moller-Plesset perturbation theory
Gabrielle B. Tucker, Kurt R. Brorsen
A multicomponent second-order Møller-Plesset perturbation theory (MP2) method is derived and implemented within the constrained nuclear-electronic orbital (CNEO) framework from a m…
Hydrogen-Atom Electronic Basis Sets for Multicomponent Quantum Chemistry
Irina Samsonova, Gabrielle B. Tucker, Naresh Alaal +1
Multicomponent methods are a conceptually simple way to include nuclear quantum effects into quantum chemistry calculations. In multicomponent methods, the electronic molecular orb…