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- W2034014154 abstract "Based upon the optimized effective potential with the self-interaction correction, we present in this paper an alternative gradient-corrected density-functional approximation with the proper long-range behavior of the effective potential. As applied to the study of the interconfigurational energies of the whole transition-metal atoms, the present combination of the gradient-corrected contribution and the modified optimized effective potential lead the s ionization to the excellent agreement with the experiment. The calculated d ionizations and s–d transition energies are also discussed." @default.
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- W2034014154 date "2005-06-22" @default.
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- W2034014154 title "Gradient-corrected density-functional potential with correct asymptotic behavior: Application to interconfigurational energies in transition-metal atoms" @default.
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- W2034014154 doi "https://doi.org/10.1063/1.1938188" @default.
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