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 J20: Density Functional Theory and Beyond II
3:00 PM–6:00 PM,
Tuesday, March 16, 2021
Sponsoring
Units:
DCOMP DCP DCMP DPOLY
Chair: Can Ataca, University of Maryland, Baltimore County
Abstract: J20.00002 : Accurate and numerically efficient r2SCAN meta-generalized gradient approximation*
3:12 PM–3:24 PM
Live
Presenter:
James Furness
(Physics and Engineering Physics, Tulane University)
Authors:
James Furness
(Physics and Engineering Physics, Tulane University)
Aaron Kaplan
(Department of Physics, Temple University)
Jinliang Ning
(Physics and Engineering Physics, Tulane University)
John Perdew
(Department of Physics, Temple University)
Jianwei Sun
(Physics and Engineering Physics, Tulane University)
[1] A. P. Bartók, J. R. Yates, J. Chem. Phys. 150, 161101 (2019).
[2] J. Sun, A. Ruzsinszky, J. P. Perdew, Phys. Rev. Lett. 115, 036402 (2015).
[3] J. W. Furness, A. D. Kaplan, J. Ning, J. P. Perdew, and J. Sun, J. Phys. Chem. Lett. 11, 8208 (2020).
*J.W.F., J.N., J.S. supported by U.S. DOE, Office of Science, Basic Energy Sciences Grant No. DE- SC0019350 (core research).
A.D.K., J.P.P. supported by U.S. DOE, Office of Science, Basic Energy Sciences, Grant No. DE- SC0012575 to the Energy Frontier Research Center: Center for Complex Materials from First Principles
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