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