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: N17.00008 : Revisiting the density-corrected SCAN calculations for neutral and aqueous systems*
1:18 PM–1:30 PM
Presenter:
Chandra Shahi
(Temple University)
Authors:
Chandra Shahi
(Temple University)
Aaron D Kaplan
(Temple University)
John P. P Perdew
(Temple University)
References
1] S. Dasgupta, E. Lambross, J. P. Perdew, and F. Paesani, Nat. Commun. 12 6359 (2021)
2] S. Dasgupta, C. Shahi, P. Bhetwal, J. P. Perdew, and F. Paesani, J. Chem. Theory Comput. 18, 4745 (2022)
3] A. Kaplan, C. Shahi, P. Bhetwal, R. K. Sah, and J. P. Perdew, (arxiv.2207.13509v2) (2022)
*This work was supported by the Department of Energy under grant no, DE-SC0018331.
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