Abstract
Formal separate expressions for the exact exchange and correlation potentials and are extracted from the formal line-integral expression of Holas and March for the whole exact exchange-correlation potential. Relations for the components of are extracted for each order in the electron-electron repulsion coupling constant, through use of the coupling-constant expansion of Görling and Levy for the external potential. The resultant expressions for and are separately path independent. The difference between and the Harbola-Sahni approximation to it, , is identified as arising from a first-order contribution to the kinetic-energy density tensor. It is shown that this small correction to , which we express in terms of perturbation theory, would be precisely zero if the Kohn-Sham determinant were identical to the Hartree-Fock determinant for the same density. In other words, would equal if the optimized effective potential determinant were the same as the Hartree-Fock determinant. This same property is shared by the Slater potential.
DOI:https://doi.org/10.1103/PhysRevA.55.1885
©1997 American Physical Society