Advances in Quantum Chemistry

Exchange-Energy Density Functionals as Linear Combinations of Homogeneous Functionals of Density

Shubin Liu^a,b; Frank De Proft^c; Agnes Nagy^d; Robert G. Parr^a    a Department of Chemistry, University of North Carolina, Chapel Hill, North Carolina 27599-3290^b Department of Biochemistry and Biophysics, University of North Carolina, Chapel Hill, North Carolina 27599-3290^c Eenheid Algemene Chemie, Vrije Universiteit Brussel, Faculteit Wetenschappen, Pleinlaan 2, 1050 Brussels, Belgium^d Institute of Theoretical Physics, Kossuth Lajos University H-4010 Debrecen, Hungary

Abstract

In a recent publication [R.G. Parr and S. Liu, Chem. Phys. Lett. 267, 164(1997)], it has been argued that the total electron-electron repulsion energy density functional V_ee[ρ] ...