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- W4298051196 abstract "We present here novel insight into exchange-correlation functionals in density functional theory, based on the viewpoint of optimal transport. We show that in the case of two electrons and in the semiclassical limit, the exact exchange-correlation functional reduces to a very interesting functional of novel form, which depends on an optimal transport map $T$ associated with a given density $rho$. Since the above limit is strongly correlated, the limit functional yields insight into electron correlations. We prove the existence and uniqueness of such an optimal map for any number of electrons and each $rho$, and determine the map explicitly in the case when $rho$ is radially symmetric." @default.
- W4298051196 created "2022-10-01" @default.
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- W4298051196 date "2011-04-04" @default.
- W4298051196 modified "2023-09-27" @default.
- W4298051196 title "Density functional theory and optimal transportation with Coulomb cost" @default.
- W4298051196 doi "https://doi.org/10.48550/arxiv.1104.0603" @default.
- W4298051196 hasPublicationYear "2011" @default.
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