Self-Consistent Hartree-Fock-Wigner Calculations: A Two-Electron-Density Functional Theory

Abstract

We recently presented a correlation method based on the Wigner intracule, in which correlation energies are calculated directly from a Hartree-Fock wavefunction. We now describe a self-consistent form of this approach which we term the Hartree-Fock-Wigner method. The efficacy of the new scheme is demonstrated using a simple weight function to reproduce the correlation energies of the first- and second-row atoms with a mean absolute deviation of 2.5 mEh. Show more