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Density approximation to the average Hartree-Fock exchange potential for atoms
Affiliation:(1) Departamento de Fisica Teórica, Universidad de Valladolid, E-47011 Valladolid, Spain
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.
Keywords:Density approximation  Hartree-Fock exchange potential  weighted-densityapproximation
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