Sum-rules of the response potential in the strongly-interacting limit of DFT |
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Authors: | Sara Giarrusso Paola Gori-Giorgi Klaas J. H. Giesbertz |
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Affiliation: | 1.Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling,Faculty of Sciences, Vrije Universiteit,Amsterdam,The Netherlands |
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Abstract: | The response part of the exchange-correlation potential of Kohn–Sham density functional theory plays a very important role, for example for the calculation of accurate band gaps and excitation energies. Here we analyze this part of the potential in the limit of infinite interaction in density functional theory, showing that in the one-dimensional case it satisfies a very simple sum rule. |
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