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• W1995056521 endingPage "3837" @default.
• W1995056521 startingPage "3827" @default.
• W1995056521 abstract "Starting from exceedingly accurate many-body wavefunctions, we have constructed essentially exact densities, exchange-correlation potentials and components of the total energy for helium and twoelectron ions. These density functional results are compared to the corresponding quantities obtained from a variety of commonly used approximate density functionals, namely the local density approximation and various generalized gradient approximations in order to test the accuracy of the approximate functionals. Although the generalized gradient approximations yield improved energies compared to the local density approximation, the exchange and correlation potentials (especially the latter) obtained from the generalized gradient approximations are in poor agreement with the corresponding exact potentials. The large-distance asymptotic behavior of the exact exchange-correlation potential to O(1/r4) is found to agree with theoretical predictions. The short range behaviour of the exchangecorrelation potential is very close to quadratic. The prospects for the improved generalized gradient approximations are discussed. Keywords: density functional theory, exchange-correlation potential, generalized gradient approximation" @default.
• W1995056521 created "2016-06-24" @default.
• W1995056521 creator A5039643157 @default.
• W1995056521 creator A5073176584 @default.
• W1995056521 date "1994-11-01" @default.
• W1995056521 modified "2023-09-26" @default.
• W1995056521 title "Accurate exchange-correlation potentials and total-energy components for the helium isoelectronic series" @default.
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• W1995056521 doi "https://doi.org/10.1103/physreva.50.3827" @default.
• W1995056521 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/9911351" @default.
• W1995056521 hasPublicationYear "1994" @default.
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