Effective local potentials for density and density-matrix functional approximations with non-negative screening density

Thomas C. Pitts, Sofia Bousiadi, Nikitas I. Gidopoulos +1

A way to improve the accuracy of the spectral properties in density functional theory (DFT) is to impose constraints on the effective, Kohn-Sham (KS), local potential [J. Chem. Phy…