The Lieb-Oxford bound and the optimal transport limit of DFT

MaRDI QIDQ2164162zbMATH OpenFDO

Authors Michael Seidl, Tarik Benyahia, Derk P. Kooi, Paola Gori-Giorgi

Publication date 12 August 2022

Full work available at URL https://arxiv.org/abs/2202.10800, https://ems.press/books/standalone/236/4533

zbMATH Keywords

density functional theory

Mathematics Subject Classification ID

Computational density functional analysis in statistical mechanics (82M36)

Abstract: We review and illustrate with several examples the connection between the search for lower bounds for the optimal constant in the Lieb-Oxford inequality and the optimal transport limit (or strictly-correlated-electrons limit) of density functional theory. We focus in particular on several contributions from Elliott Lieb which already hinted at this connection.

Review text

Summary: We review and illustrate with several examples the connection between the search for lower bounds for the optimal constant in the Lieb-Oxford inequality and the optimal transport limit (or strictly-correlated-electrons limit) of density functional theory. We focus, in particular, on several contributions from Elliott Lieb which already hinted at this connection. For the entire collection see [Zbl 1491.46003].

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Cited in

(3)

• Improved Lieb-Oxford bound on the indirect and exchange energies
• The Lieb-Oxford lower bounds on the Coulomb energy, their importance to electron density functional theory, and a conjectured tight bound on exchange
• Lieb's most useful contribution to cal theory?

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