APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022;
Chicago
Session Index
Session Q01: Density Functional Theory and Beyond V
Focus
Recordings Available
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Show Abstracts |
Sponsoring Units: DCP
Chair: Eli Kraisler, Hebrew University of Jerusalem
Room: McCormick Place W-175A
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Wednesday, March 16, 2022
3:00PM - 3:36PM
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Q01.00001: Long-range correlations in density functional theory
Invited Speaker:
Tim Gould
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Wednesday, March 16, 2022
3:36PM - 3:48PM
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Q01.00002: Numerical Estimates of Temperature-Dependent Bounds on the Exchange-Correlation Free Energy
Aurora Pribram-Jones, Brittany P Harding, Zachary N Mauri
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Wednesday, March 16, 2022
3:48PM - 4:00PM
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Q01.00003: Kinetic peaks and step in the KS potential for molecular dissociation
Sara Giarrusso
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Wednesday, March 16, 2022
4:00PM - 4:12PM
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Q01.00004: Strong correlation in DFT at finite temperatures: the case of the Hubbard dimer.
Juri Grossi, Aurora Pribram-Jones
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Wednesday, March 16, 2022
4:12PM - 4:24PM
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Q01.00005: Towards Probabilistic Analysis of Entropy Stabilized Oxides using Density Functional Theory
Lily J Joyce, Kristen E Johnson, Christina M Rost, Kendra L Letchworth-Weaver
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Wednesday, March 16, 2022
4:24PM - 4:36PM
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Q01.00006: Analyzing exchange-correlation temperature dependence via the generalized thermal adiabatic connection
Zachary N Mauri, Aurora Pribram-Jones
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Wednesday, March 16, 2022
4:36PM - 4:48PM
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Q01.00007: Generating the Temperature-Dependence of PBE
John Kozlowski, Kieron Burke
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Wednesday, March 16, 2022
4:48PM - 5:00PM
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Q01.00008: Building a beyond-DFT database of spectral functions for correlated materials
Subhasish Mandal, Kristjan Haule, Karin M Rabe, David Vanderbilt
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Wednesday, March 16, 2022
5:00PM - 5:12PM
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Q01.00009: Direct orbital optimization methods for variational density functional calculations of excited electronic states
Gianluca Levi
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Wednesday, March 16, 2022
5:12PM - 5:24PM
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Q01.00010: Beyond Kohn-Sham DFT by including explicit orbital density dependence
Hannes Jonsson
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