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- W1827436848 abstract "Bulat and Levy recently deduced an expansion for the exact-exchange potential whose leading term is Slater’s averaged exchange-charge potential modified through the inclusion of orbital eigenvalues. When used as a stand-alone approximation to the exact-exchange potential, this leading term is much more accurate than Slater’s original. We give an alternative derivation of this term and show that, unlike the Slater potential, it correctly reduces to the Dirac exchange potential (i.e., the local density approximation) for a uniform electron gas, provided that the zero-energy reference of orbital eigenvalues is chosen as the Fermi level of the system. The orbital-energy-modified Slater potential should also recover the Dirac exchange potential for neutral atoms in the limit of infinite nuclear charge, but in practice converges to this limit very slowly on account of extreme sensitivity to the choice of zero-energy reference around the Fermi level." @default.
- W1827436848 created "2016-06-24" @default.
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- W1827436848 date "2015-01-01" @default.
- W1827436848 modified "2023-09-26" @default.
- W1827436848 title "Modified Slater exchange potential with correct uniform electron gas limit" @default.
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- W1827436848 doi "https://doi.org/10.1139/cjc-2014-0250" @default.
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