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: X21.00009 : Improving density functional calculations of molecular polarizabilities using locally scaled self-interaction corrections.*
9:36 AM–9:48 AM
Live
Presenter:
Kamal Sharkas
(Physics, Central Michigan University)
Authors:
Kamal Sharkas
(Physics, Central Michigan University)
Sharmin Akter
(Physics, University of Texas, El Paso)
Jorge A Vargas
(Physics, Universidad Autonoma de Zacatecas)
Juan Ernesto Peralta
(Physics, Central Michigan University)
Koblar Alan Jackson
(Physics, Central Michigan University)
Tunna Baruah
(Physics, University of Texas, El Paso)
Rajendra R Zope
(Physics, University of Texas, El Paso)
(1) Yang, Z.-h.; Pederson, M. R.; Perdew, J. P. .Phys. Rev. A2017,95, 052505.
(2) Zope, R. R.; Yamamoto, Y.; Diaz, C. M.; Baruah, T.; Peralta, J. E.; Jackson, K. A.;Santra, B.;
Perdew, J. P. .JCP, 2019,151, 214108.
*grant DE-SC0018331
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