Abstract
A non-local density-based approximation to the average Hartree-Fock (HF) exchange potential is developed. The new potential is formulated within the spin-dependent version of the weighted density approximation, and is based on a novel form of the (exchangeonly) pair-correlation function for electrons in finite systems. The results for total energies and one-electron orbital energies of atoms are reasonably accurate in comparison with those obtained using the exact average HF potential, or the exact orbital-dependent HF potential.
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Gritsenko, O.V., Rubio, A., Balbás, L.C. et al. Density approximation to the average Hartree-Fock exchange potential for atoms. Proc. Indian Acad. Sci. (Chem. Sci.) 106, 91–102 (1994). https://doi.org/10.1007/BF02840733
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DOI: https://doi.org/10.1007/BF02840733