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• W1977486279 abstract "Accurate reference wave functions and their densities have been used to obtain accurate exchange-correlation potentials for the beryllium isoelectronic sequence Be, Ne(+6), Ar(+14), and Kr(+32). The exchange-correlation potentials for the four-electron cations with high Z in this sequence exhibit structure prior to the intershell peak that is not present in neutral atoms. The kinetic energy contribution to the exchange-correlation potential contributes to the early structure as well as to the intershell peak. The near degeneracy in this four-electron sequence plays a significant role in the structure prior to the intershell peak. Several of the quantities on which the Perdew-Burke-Ernzerhoff and Tao-Perdew-Staroverov-Scuseria functionals are dependent are examined. The generalized gradient approximations appear not to account for the near degeneracy in this series." @default.
• W1977486279 created "2016-06-24" @default.
• W1977486279 creator A5023643586 @default.
• W1977486279 creator A5077725607 @default.
• W1977486279 date "2004-12-13" @default.
• W1977486279 modified "2023-09-23" @default.
• W1977486279 title "Exchange-correlation potentials for high-electron-density ions in the Be isoelectronic series" @default.
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• W1977486279 doi "https://doi.org/10.1063/1.1824877" @default.
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