Friday, March 19, 2021
8:00AM - 8:12AM
Live
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X21.00001: Constraint-based wave vector and frequency-dependent exchange-correlation kernel of the uniform electron gas
Adrienn Ruzsinszky, Niraj K Nepal, Jose M. Pitarke, John Perdew
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Friday, March 19, 2021
8:12AM - 8:24AM
Live
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X21.00002: Local scaled self-interaction-correction method using Fermi-Löwdin orbitals and a simple scaling factor
Selim Romero, Yoh Yamamoto, Tunna Baruah, Rajendra R Zope
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Friday, March 19, 2021
8:24AM - 8:36AM
Live
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X21.00003: Analyzing the Large Z Exchange Expansion
Jeremy Redd, Antonio C Cancio
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Friday, March 19, 2021
8:36AM - 8:48AM
Live
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X21.00004: Local modified Becke-Johnson potential for low-dimensional systems
Tomas Rauch, Miguel Marques, Silvana Botti
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Friday, March 19, 2021
8:48AM - 9:00AM
Live
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X21.00005: Conditional probability density functional theory
Ryan J. McCarty, Dennis R Perchak, Ryan Pederson, Robert Evans, Yiheng Qiu, Steven Robert White, Kieron Burke
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Friday, March 19, 2021
9:00AM - 9:12AM
Live
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X21.00006: Bulk properties of semiconductors calculated with density functional theory and screened range-separated hybrids
Stefan Seidl, Bernhard Kretz, Christian Gehrmann, David Egger
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Friday, March 19, 2021
9:12AM - 9:24AM
Live
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X21.00007: On the relationship between the Kohn-Sham potential, the Pauli potential, and the Exact Electron Factorization
Axel Schild, Jakub Kocák, Eli Kraisler
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Friday, March 19, 2021
9:24AM - 9:36AM
Live
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X21.00008: A simple self-interaction correction to the RPA+ correlation energy
Shiqi Ruan, Xinguo Ren, Tim Gould, Adrienn Ruzsinszky
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Friday, March 19, 2021
9:36AM - 9:48AM
Live
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X21.00009: Improving density functional calculations of molecular polarizabilities using locally
scaled self-interaction corrections.
Kamal Sharkas, Sharmin Akter, Jorge A Vargas, Juan Ernesto Peralta, Koblar Alan Jackson, Tunna Baruah, Rajendra R Zope
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Friday, March 19, 2021
9:48AM - 10:00AM
Live
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X21.00010: Effect of the oxygen coverage on the electronic and magnetic properties of Cr2N MXene
Rodrigo Ponce Perez, María Guadalupe Moreno Armenta, Jonathan Guerrero Sanchez
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Friday, March 19, 2021
10:00AM - 10:12AM
Live
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X21.00011: Surface structures of magnetostrictive D03-Fe3Ga(001)
Ricardo Ruvalcaba, Joseph Perry Corbett, Andrada-Oana Mandru, Noboru Takeuchi, Arthur Smith, Jonathan Guerrero Sanchez
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Friday, March 19, 2021
10:12AM - 10:24AM
Live
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X21.00012: Interpretations of ground-state symmetry breaking and strong correlation in wavefunction and density functional theories
John Perdew, Adrienn Ruzsinszky, Jianwei Sun, Niraj K Nepal, Aaron Kaplan
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Friday, March 19, 2021
10:24AM - 10:36AM
Live
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X21.00013: Constrained Machine Learning de-orbitalization of meta-GGA exchange-correlation functionals
Kanun Pokharel, James Furness, Yi Yao, Volker Blum, Jianwei Sun
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Friday, March 19, 2021
10:36AM - 10:48AM
Live
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X21.00014: Removing Combinatorial Complexity for Systematic Initialization of Electronic Geometries for Fermi-Löwdin-Orbital Self-Interaction Corrections to Density Functional Approximations
Chandra Shahi, Koblar Alan Jackson, Mark Pederson
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Friday, March 19, 2021
10:48AM - 11:00AM
Live
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X21.00015: Scaling down the Perdew-Zunger self-interaction correction to the first three rungs of the ladder of density functional approximations
Biswajit Santra, Puskar Bhattarai, Kamal Wagle, Chandra Shahi, Yoh Yamamoto, Selim Romero, Rajendra R Zope, Juan E Peralta, Koblar Jackson, John Perdew
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