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. © 2004 Elsevier B.V. All rights reserved.

Año de publicación:

2004

Keywords:

Fuente:

scopus