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• W2013703337 abstract "For helping to improve approximations to the density-functional exchange-correlation energy, Exc[n], and its functional derivative, the difference between the second-order component of the correlation energy, Ec(2)[n], and the integral ∫dr vc(2)([n];r)n(r), involving its functional derivative, vc(2)([n];r), is given in terms of only the occupied Kohn–Sham orbitals and the exchange potential. The quantity 2Ec(2)[n] is especially significant because it is the initial slope in the adiabatic connection formula for Exc[n]. The analytic expression for 2Ec(2)[n]−∫dr vc(2)([n];r)n(r) is obtained for any spherically symmetric two-electron test density. Numerical examples are presented." @default.
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• W2013703337 date "1998-10-15" @default.
• W2013703337 modified "2023-09-27" @default.
• W2013703337 title "Closed-form expression relating the second-order component of the density functional theory correlation energy to its functional derivative" @default.
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• W2013703337 doi "https://doi.org/10.1063/1.477269" @default.
• W2013703337 hasPublicationYear "1998" @default.
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