Sum-rules of the response potential in the strongly-interacting limit of DFT

Sara Giarrusso, Paola Gori-Giorgi and Klaas J. H. Giesbertz ()
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Sara Giarrusso: Faculty of Sciences, Vrije Universiteit
Paola Gori-Giorgi: Faculty of Sciences, Vrije Universiteit
Klaas J. H. Giesbertz: Faculty of Sciences, Vrije Universiteit

The European Physical Journal B: Condensed Matter and Complex Systems, 2018, vol. 91, issue 8, 1-6

Abstract: 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.

Date: 2018
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DOI: 10.1140/epjb/e2018-90301-8

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