In earlier work (Phys. Rev. A, 55, 3465, 1997) one of us (A.N.) has related the exchange-only potential designed to reproduce the Hartree-Fock density to the sum of the Slater potential and a term involving the difference between the eigenvalues of the Hartree-Fock (HF) and Kohn-Sham (KS) wave functions. Here, a consequence of this approximate theory is derived that relates the total exchange energy to its functional derivative and to the difference ΔEs between the eigenvalue sums of the HF and KS schemes.
- Exchange-only theory
- Inhomogeneous electron liquid
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
- Physical and Theoretical Chemistry
- Materials Chemistry