Tuesday, March 7, 2023
3:00PM - 3:36PM
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K17.00001: Real-time TDDFT for complex systems and dynamics
Invited Speaker:
Yosuke Kanai
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Tuesday, March 7, 2023
3:36PM - 3:48PM
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K17.00002: Exchange-correlation functionals for noncollinear spin density functional theory
Nicolas Tancogne-Dejean, Carsten A Ullrich
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Tuesday, March 7, 2023
3:48PM - 4:00PM
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K17.00003: Approximate exchange-correlation energy from model Green's functions
Steven Crisostomo, Kieron Burke
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Tuesday, March 7, 2023
4:00PM - 4:12PM
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K17.00004: A DFT analysis of a covalent organic donor-acceptor-radical molecule used for quantum teleportation
Pedro U Medina Gonzalez, Rajendra R Zope, Mark R Pederson, Tunna Baruah
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Tuesday, March 7, 2023
4:12PM - 4:24PM
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K17.00005: TDDFT-as(p): a series of high accuracy semi-empirical TDDFT model using minimal auxiliary basis.
ZEHAO ZHOU, Shane M Parker, Fabio D Sala
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Tuesday, March 7, 2023
4:24PM - 4:36PM
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K17.00006: Hubbard clusters as testing grounds for noncollinear spins in (TD)DFT
Daniel M Hill, Carsten A Ullrich, Justin Shotton
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Tuesday, March 7, 2023
4:36PM - 5:12PM
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K17.00007: Description of the interaction of light and matter using the time-dependent density functional theory
Invited Speaker:
Kalman Varga
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Tuesday, March 7, 2023
5:12PM - 5:24PM
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K17.00008: Modern exact two-component Hamiltonians for relativistic quantum chemistry and physics: Two-electron picture-change corrections made simple
Michal Repisky, Stefan Knecht, Hans Jørgen Aagaard Jensen, Trond Saue, Lukas Konecny
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Tuesday, March 7, 2023
5:24PM - 5:36PM
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K17.00009: Quantum Model of Propagating Plexcitons in Two-Dimensional Semiconducting Materials
Martin A Mosquera, Juan M Marmolejo-Tejada, Nicholas Borys
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Tuesday, March 7, 2023
5:36PM - 5:48PM
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K17.00010: Plasmons and excitons in Pd-doped Ag nanoparticles from an ab initio GW-BSE approach
Emma Simmerman, Aaron R Altman, Supavit Pokawanvit, Felipe H da Jornada
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Tuesday, March 7, 2023
5:48PM - 6:00PM
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K17.00011: Modeling ultrafast photoinduced dynamics of adsorbates on metals with machine learning potentials
Ivor Loncaric
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