Bulletin of the American Physical Society
APS March Meeting 2021
Volume 66, Number 1
Monday–Friday, March 15–19, 2021; Virtual; Time Zone: Central Daylight Time, USA
Session X21: Density Functional Theory and Beyond IV
8:00 AM–11:00 AM,
Friday, March 19, 2021
Sponsoring
Units:
DCOMP DCP DCMP DPOLY
Chair: Rajendra Zope, University of Texas, El Paso
Abstract: X21.00014 : Removing Combinatorial Complexity for Systematic Initialization of Electronic Geometries for Fermi-Löwdin-Orbital Self-Interaction Corrections to Density Functional Approximations*
10:36 AM–10:48 AM
Live
Presenter:
Chandra Shahi
(Central Michigan Univ)
Authors:
Chandra Shahi
(Central Michigan Univ)
Koblar Alan Jackson
(Central Michigan Univ)
Mark Pederson
(Physics, University of Texas at El Paso)
[1] M. R. Pederson, A. Ruzsinszky, and J. P. Perdew J. Chem. Phys. 140, 121103 (2014)
[2] J. P. Perdew and A. Zunger Phys. Rev. B 23, 5048 (1981)
*U.S Department of Energy, DE-SC0018331.
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