Reduction of finite-size effects for second-order Møller-Plesset perturbation theory with singularity subtraction

Stephen Jon Quiton, Juan D. F. Pottecher, Martin Head-Gordon +1

Second-order Moller--Plesset perturbation theory (MP2) for periodic systems suffers from finite-size errors (FSEs) that have inverse volume scaling due to the Coulomb kernel singul…