Third order Møller-Plesset theory made more useful? The role of density functional theory orbitals

Adam Rettig, Diptarka Hait, Luke W. Bertels +1

The practical utility of Møller-Plesset (MP) perturbation theory is severely constrained by the use of Hartree-Fock (HF) orbitals. It has recently been shown that use of regularize…