SKM 2023 –
wissenschaftliches Programm
O 53: Focus Session: Frontiers of Electronic-Structure Theory IV (joint session O/HL)
Mittwoch, 29. März 2023, 10:30–13:00, TRE Ma
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10:30 |
O 53.1 |
The contribution has been withdrawn.
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10:45 |
O 53.2 |
Topical Talk:
TREX: an integrated HPC software platform for quantum Monte Carlo calculations — •Claudia Filippi
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11:15 |
O 53.3 |
Exciton-phonon coupling in luminescence of indirect band-gap materials — Matteo Zanfrognini, Fulvio Paleari, Daniele Varsano, and •Ludger Wirtz
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11:30 |
O 53.4 |
A combined G0W0/BSE scheme of characterizing photoexcitations in hydroxylated rutile TiO2(110) — •Savio Laricchia, Andrea Ferretti, Daniele Varsano, and Claudia Cardoso
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11:45 |
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15 min. break
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12:00 |
O 53.5 |
Scaling the Way for All-Electron XPS Simulations to CalculateAbsolute Binding Energies of Surface Superstructures — •Dylan Morgan, Sam Hall, Benedikt Klein, Matthew Stoodley, and Reinhard Maurer
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12:15 |
O 53.6 |
Efficient diagonalization of BSE electron-hole Hamiltonian using group theory — •Jörn Stöhler, Dmitrii Nabok, Stefan Blügel, and Christoph Friedrich
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12:30 |
O 53.7 |
Excitonic effects on quadratic optical photoresponse tensors of semiconductors — •Peio Garcia-Goricelaya and Julen Ibañez-Azpiroz
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12:45 |
O 53.8 |
Electronic and optical properties of CoFe2O4 from density functional theory calculations, including many-body effects — •Shohreh Rafiezadeh, Vijaya Begum-Hudde, and Rossitza Pentcheva
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