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 T2: Density Functional Theory
8:30 AM–12:30 PM,
Sunday, March 5, 2023
Room: Room 126
Chair: Kieron Burke, University of California, Irvine
Abstract: T2.00004 : Density Functional Theory
11:30 AM–12:30 PM
Presenter:
Carsten A Ullrich
(University of Missouri)
Author:
Carsten A Ullrich
(University of Missouri)
Topics
• DFT: Basic theorems of ground-state DFT, with simple examples; exchange-correlation functionals and exact conditions such as scaling, self-interaction, and derivative discontinuities; exact exchange and beyond; the Jacob’s ladder of Density Functional approximations. Extensions to warm dense matter and ensembles may also be covered.
• TDDFT: Basic theorems of TDDFT, with simple examples; survey of time-dependent phenomena; memory dependence; linear response and excitation energies; optical processes in materials; multiple and charge-transfer excitations; strong-field processes; non-adiabatic electron-nuclear dynamics.
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