Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session N17: Density Functional Theory in Chemical Physics V
11:30 AM–2:30 PM,
Wednesday, March 8, 2023
Room: Room 209
Sponsoring
Unit:
DCP
Chair: Roland Wilcken, University of Colorado, Boulder
Abstract: N17.00009 : Spin-state energy differences of octahedral Fe(II) complexes using self-interaction-corrected methods.*
1:30 PM–1:42 PM
Presenter:
Selim S Romero
(University of Texas at El Paso)
Authors:
Selim S Romero
(University of Texas at El Paso)
Tunna Baruah
(University of Texas at El Paso)
Rajendra R Zope
(University of Texas at El Paso)
*This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, as part of the Computational Chemical Sciences Program under Award No. DE-SC0018331.
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