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- W3009959457 abstract "We analyze in depth two widely used definitions (from the theory of conditional probability amplitudes and from the adiabatic connection formalism) of the exchange-correlation energy density and of the response potential of Kohn–Sham density functional theory. We introduce a local form of the coupling-constant-dependent Hohenberg–Kohn functional, showing that the difference between the two definitions is due to a corresponding local first-order term in the coupling constant, which disappears globally (when integrated over all space), but not locally. We also design an analytic representation for the response potential in the strong-coupling limit of density functional theory for a model single stretched bond." @default.
- W3009959457 created "2020-03-13" @default.
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- W3009959457 date "2020-03-02" @default.
- W3009959457 modified "2023-09-27" @default.
- W3009959457 title "Exchange-Correlation Energy Densities and Response Potentials: Connection between Two Definitions and Analytical Model for the Strong-Coupling Limit of a Stretched Bond" @default.
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- W3009959457 doi "https://doi.org/10.1021/acs.jpca.9b10538" @default.
- W3009959457 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/7705958" @default.
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