Friday, March 18, 2022
11:30AM - 11:42AM
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Z01.00001: Coherent steering of photosynthetic excitons with redox-dependent vibronic coupling
Jacob S Higgins
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Friday, March 18, 2022
11:42AM - 11:54AM
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Z01.00002: Modeling Excited States with Restricted Determinants in State Averaged Resonating Hartree-Fock
Ericka Roy Miller, Shane M Parker
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Friday, March 18, 2022
11:54AM - 12:06PM
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Z01.00003: Clock Transitions Guard Against Spin Decoherence in Singlet Fission
Sina G Lewis, Kori E Smyser, Joel D Eaves
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Friday, March 18, 2022
12:06PM - 12:18PM
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Z01.00004: Quiqbox: a highly customizable basis set generator
Weishi Wang
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Friday, March 18, 2022
12:18PM - 12:30PM
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Z01.00005: First Principles Electronic Structure Study of Lanthanide-(III) complexes with pyridine-2,6-dicarboxamide on Au(111) substrate
Vijay R Singh, Naveen Dandu, Larry A Curtiss, Saw W Hla, Anh T Ngo
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Friday, March 18, 2022
12:30PM - 12:42PM
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Z01.00006: Nonlocal pseudopotentials and time-step errors in diffusion Monte Carlo
Tyler A Anderson, Cyrus J Umrigar
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Friday, March 18, 2022
12:42PM - 12:54PM
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Z01.00007: Defect process in bismuth germanante: A precursor to band-edge engineering and design of stable scintillators
Omotayo a Salawu, Othmane Bouhali
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Friday, March 18, 2022
12:54PM - 1:06PM
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Z01.00008: Quantum Drude Oscillator Model: Optimized parametrization for all elements in the Periodic table.
Ornella Vaccarelli, Alexandre Tkatchenko, Dmitry Fedorov
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Friday, March 18, 2022
1:06PM - 1:18PM
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Z01.00009: Tang-Toennies Model Revisited: Toward the General van der Waals Potential
Almaz Khabibrakhmanov, Dmitry Fedorov, Alexandre Tkatchenko
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Friday, March 18, 2022
1:18PM - 1:30PM
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Z01.00010: Assessing MP2 frozen natural orbitals for relativistic electronic structure
Xiang Yuan, André Gomes, Lucas Visscher
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Friday, March 18, 2022
1:30PM - 1:42PM
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Z01.00011: Formation Energies of Charged Defects in Transition Metal Dichalcogenides at Finite Temperature and Pressure
Preston A Vargas, Luke Holtzman, Katayun Barmak, Richard G Hennig
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Friday, March 18, 2022
1:42PM - 1:54PM
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Z01.00012: Singlet heterofission in tetracene-pentacene thin-film blends
Luca Moretti, Clemens Zeiser, Daniel Leppe, Giulio Cerullo, Margherita Maiuri, Katharina Broch
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Friday, March 18, 2022
1:54PM - 2:06PM
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Z01.00013: Structure, photophysical properties and paramagnetic broadening in (2-Methylbenzimidazolium)MnCl3.2H2O
Debendra P Panda, Diptikanta Swain, Athinarayan Sundaresan
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