Bulletin of the American Physical Society
2024 APS March Meeting
Monday–Friday, March 4–8, 2024; Minneapolis & Virtual
Session A39: Density Functional Theory in Chemical Physics: Ground State DFT, Density-corrected DFT and Concepts of DFT
8:00 AM–10:48 AM,
Monday, March 4, 2024
Room: 103E
Sponsoring
Unit:
DCP
Chair: Adrienn Ruzsinszky, Tulane University
Abstract: A39.00007 : Optimization of kinetic energy functionals for deorbitalized exchange-correlation meta-GGAs.*
10:00 AM–10:12 AM
Presenter:
Antonio C Cancio
(Ball State University)
Authors:
Antonio C Cancio
(Ball State University)
Bishal Thapa
(George Mason University)
Hector I Francisco Rodriguez
(University of Florida)
[1] D. Mejia-Rodriguez and S. B. Trickey Phys. Rev. A 96, 052512 (2017)
[2] A Kaplan and J Perdew Phys. Rev. Materials 6, 083803 (2022)
*Work supported by U.S. National Science Foundation grant DMR-1912618.
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