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• W110736911 abstract "The exchange and correlation energies and potentials, occurring in various density functional theory approaches and schemes are reviewed and their definitions compared. The ways of their determination and their long-range properties are discussed. General expressions for the exchange and correlation energy and the long-range asymptotic form of the exchange potential are obtained for mixed-state systems. Line-integral expressions for the exchange and correlation potentials, valid both for pure-state and mixed-state systems are derived. Approximation to the electrostatic-plus-exchange energy and corresponding potential for arbitrary mixed-state systems and approximation to the correlation energy and potential for a specific class of mixed-state systems are proposed. They are expressible in terms of any approximate functional of the density for the exchange energy and correlation energy, respectively, known for pure-state systems." @default.
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• W110736911 date "1996-01-01" @default.
• W110736911 modified "2023-10-17" @default.
• W110736911 title "Exchange and correlation in density functional theory of atoms and molecules" @default.
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• W110736911 doi "https://doi.org/10.1007/3-540-61091-x_3" @default.
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