Effective one-body potential of DFT plus correlated kinetic energy density for two-electron spherical model atoms

Abstract

For three model problems concerning two-electron spin-compensated ground states with spherical density, the third-order linear homogeneous differential equation constructed for the determination of ρ ( r ) is used here in conjunction with the von Weizsäcker functional to characterize the one-body potential of density functional theory (DFT). Correlated von Weizsäcker-type terms are compared to the exact DFT functional.