Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session Q01: Density Functional Theory and Beyond V
3:00 PM–5:24 PM,
Wednesday, March 16, 2022
Room: McCormick Place W-175A
Sponsoring Unit: DCP
Chair: Eli Kraisler, Hebrew University of Jerusalem
Abstract: Q01.00004 : Strong correlation in DFT at finite temperatures: the case of the Hubbard dimer.
4:00 PM–4:12 PM
(University of California, Merced)
Using as reference an infinitely interacting system, we make use of a half-filled Hubbard model at finite temperature to gather insights on the decorrelation energy. The so-obtained strongly interacting Mermin functional displays a non-trivial temperature dependence, which could help improve understanding of the role of temperature corrections in exchange-correlation effects.
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