Bulletin of the American Physical Society
2023 APS March Meeting
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session B17: Density Functional Theory in Chemical Physics II
11:30 AM–2:30 PM,
Monday, March 6, 2023
Room: Room 209
Sponsoring
Unit:
DCP
Chair: Carsten Ullrich, University of Missouri
Abstract: B17.00001 : New results from semiclassics: chemical accuracy in orbital-free DFT*
11:30 AM–12:06 PM
Presenter:
Kieron Burke
(University of California, Irvine)
Author:
Kieron Burke
(University of California, Irvine)
[1] Semiclassical Origins of Density Functionals Elliott, Peter, Lee, Donghyung, Cangi, Attila and Kieron Burke, Phys. Rev. Lett. 100, 256406 (2008).
[2] Leading correction to the local density approximation for exchange in large-Z atoms Nathan Argaman, Jeremy Redd, Antonio C. Cancio, and Kieron Burke, Phys. Rev. Lett. 129, 153001 (2022).
[3] Orbital-free functional with sub-milliHartree accuracy, Pavel Okun and Kieron Burke, in preparation.
*Funded by NSF CHE-2154371
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