Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session N01: Density Functional Theory and Beyond IV
11:30 AM–2:06 PM,
Wednesday, March 16, 2022
Room: McCormick Place W-175A
Sponsoring
Unit:
DCP
Chair: Carsten Ullrich, University of Missouri
Abstract: N01.00006 : Quasiparticle band structures of halide double perovskites using Wannier-localized optimally tuned screened range separated hybrid functionals*
12:54 PM–1:06 PM
Presenter:
Francisca Sagredo
(Lawrence Berkeley National Laboratory)
Authors:
Francisca Sagredo
(Lawrence Berkeley National Laboratory)
Stephen E Gant
(University of California, Berkeley)
Guy Ohad
(Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science)
Jonah B Haber
(University of California, Berkeley)
Marina R Filip
(University of Oxford)
Leeor Kronik
(Weizmann Institute of Science)
Jeffrey B Neaton
(Lawrence Berkeley National Laboratory)
*The authors acknowledge NSF-BSF DMR-1708892, and XSEDE at TACC for computer allocation under TG-DMR190070.
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