2023 APS March Meeting
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session Index
Session G17: Density Functional Theory in Chemical Physics III
Focus Session
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Show Abstracts |
Sponsoring Units: DCP
Chair: Xuecheng Shao, Rutgers University - Newark
Room: Room 209
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Tuesday, March 7, 2023
11:30AM - 12:06PM
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G17.00001: Density Matrix Renormalization Group embedding in Kohn-Sham orbital environment
Invited Speaker:
Katarzyna Pernal
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Tuesday, March 7, 2023
12:06PM - 12:18PM
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G17.00002: Ozone: A failure of FLOSIC or standard DFT-like symmetry-breaking?
Zahra Hooshmand Gharehbagh, Mark R Pederson
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Tuesday, March 7, 2023
12:18PM - 12:30PM
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G17.00003: Capturing Strong Electron Correlation with Partition-DFT
Yi Shi, Adam Wasserman
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Tuesday, March 7, 2023
12:30PM - 12:42PM
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G17.00004: Strong interaction and temperature effects in thermal density functional theory
Aurora Pribram-Jones
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Tuesday, March 7, 2023
12:42PM - 12:54PM
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G17.00005: Comparison of excitation energies from perturbative Ensemble Density Functional Theory approaches in real space
Uday Panta, David A Strubbe
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Tuesday, March 7, 2023
12:54PM - 1:30PM
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G17.00006: Ensemble density-functional theory of charged and neutral electronic excitations: Exact construction of energy levels and beyond
Invited Speaker:
Emmanuel Fromager
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Tuesday, March 7, 2023
1:30PM - 1:42PM
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G17.00007: Plateaus in the Kohn-Sham potential of density-functional theory: analytical derivation and useful approximations
Eli Kraisler, Nathan E Rahat
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Tuesday, March 7, 2023
1:42PM - 1:54PM
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G17.00008: How Important are Exact Conditions in Ensemble Density Functional Theory?
Thais R Scott, John Kozlowski, Kieron Burke
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Tuesday, March 7, 2023
1:54PM - 2:06PM
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G17.00009: Mixing Stochastic-Deterministic Density Functional Theory In The PAW Formalism To Tackle Extreme Conditions Physics
Vidushi Sharma, Alexander J White, Lee A Collins
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Tuesday, March 7, 2023
2:06PM - 2:18PM
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G17.00010: Using the generalized thermal adiabatic connection to analyze and build exchange-correlation free energy approximations
Brittany P Harding
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Tuesday, March 7, 2023
2:18PM - 2:30PM
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G17.00011: Generalized Gradient Approximation Made Thermal
John Kozlowski, Kieron Burke
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