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- W2798447315 abstract "Using the formalism of the conditional amplitude, we study the response part of the exchange-correlation potential in the strong-coupling limit of density functional theory, analysing its peculiar features and comparing it with the response potential averaged over the coupling constant for small atoms and for the hydrogen molecule. We also use a simple one-dimensional model of a stretched heteronuclear molecule to derive exact properties of the response potential in the strong-coupling limit. The simplicity of the model allows us to unveil relevant features also of the exact Kohn-Sham potential and its different components, namely the appearance of a second peak in the correlation kinetic potential on the side of the most electronegative atom." @default.
- W2798447315 created "2018-05-07" @default.
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- W2798447315 creator A5051569808 @default.
- W2798447315 creator A5088590587 @default.
- W2798447315 date "2018-06-15" @default.
- W2798447315 modified "2023-10-15" @default.
- W2798447315 title "Response Potential in the Strong-Interaction Limit of Density Functional Theory: Analysis and Comparison with the Coupling-Constant Average" @default.
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- W2798447315 doi "https://doi.org/10.1021/acs.jctc.8b00386" @default.
- W2798447315 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6096453" @default.
- W2798447315 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29906106" @default.
- W2798447315 hasPublicationYear "2018" @default.
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