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

Sara Giarrusso; Paola Gori-Giorgi; Klaas J. H. Giesbertz

doi:10.1140/epjb/e2018-90301-8

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arXiv · 1806.04196

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

Sara Giarrusso·Paola Gori-Giorgi·Klaas J. H. Giesbertz

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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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Sara Giarrusso, Paola Gori-Giorgi, Klaas J. H. Giesbertz. 2018-07-06. Sum-rules of the response potential in the strongly-interacting limit of DFT. https://doi.org/10.1140/epjb%2Fe2018-90301-8

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