Tuesday, March 15, 2022
8:00AM - 8:36AM
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F01.00001: Density-Corrected SCAN Meta-GGA*
Invited Speaker:
John P Perdew
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Tuesday, March 15, 2022
8:36AM - 8:48AM
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F01.00002: Testing the r2SCAN density functional for the thermodynamical stability of solids with and without the van der Waals correction
Manish Kothakonda, Aaron D Kaplan, Eric B Isaacs, Christopher Bartel, James W Furness, Jinliang Ning, John P Perdew, Christopher M Wolverton, Jianwei Sun
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Tuesday, March 15, 2022
8:48AM - 9:00AM
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F01.00003: FLO-SIC & F-Electron Systems
Alexander I Johnson, Mark R Pederson
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Tuesday, March 15, 2022
9:00AM - 9:12AM
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F01.00004: The Fermi-Löwdin self-interaction correction for spin transition systems
Shiqi Ruan, Koblar A Jackson, Juan E Peralta, Adrienn Ruzsinszky
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Tuesday, March 15, 2022
9:12AM - 9:24AM
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F01.00005: Complex Fermi-Löwdin orbitals for Perdew-Zunger self-interaction correction
Kushantha Withanage, Alexander I Johnson, Koblar A Jackson, Mark R Pederson
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Tuesday, March 15, 2022
9:24AM - 9:36AM
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F01.00006: Lobedness, complex orbitals, and the self-interaction energies of multiple bonds
Puskar Bhattarai, Kushantha Withanage, Juan E Peralta, Mark R Pederson, Koblar A Jackson, John P Perdew
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Tuesday, March 15, 2022
9:36AM - 9:48AM
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F01.00007: Hyperfine Interactions for Small Molecules using Fermi-Löwdin Orbital Based Self-Interaction Corrected DFT
Anri Karanovich, Koblar A Jackson, Kyungwha Park
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Tuesday, March 15, 2022
9:48AM - 10:00AM
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F01.00008: Bond length alternation of π-conjugated polymers predicted by the Fermi-Löwdin orbital self-interaction correction
Duyen B Nguyen, Koblar A Jackson, Juan E Peralta
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Tuesday, March 15, 2022
10:00AM - 10:12AM
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F01.00009: Chemical bonding theories as guides for self-interaction corrections
Kai Trepte, Sebastian Schwalbe, Simon Liebing, Wanja T Schulze, Jens Kortus, Hemanadhan Myneni, Aleksei Ivanov, Susi Lehtola
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