SKM 2023 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 53: Focus Session: Frontiers of Electronic-Structure Theory IV (joint session O/HL)

Mittwoch, 29. März 2023, 10:30–13:00, TRE Ma

  10:30 O 53.1 The contribution has been withdrawn.
10:45 O 53.2 Topical Talk: TREX: an integrated HPC software platform for quantum Monte Carlo calculations — •Claudia Filippi
11:15 O 53.3 Exciton-phonon coupling in luminescence of indirect band-gap materialsMatteo Zanfrognini, Fulvio Paleari, Daniele Varsano, and •Ludger Wirtz
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
  11:45 15 min. break
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
12:15 O 53.6 Efficient diagonalization of BSE electron-hole Hamiltonian using group theory — •Jörn Stöhler, Dmitrii Nabok, Stefan Blügel, and Christoph Friedrich
12:30 O 53.7 Excitonic effects on quadratic optical photoresponse tensors of semiconductors — •Peio Garcia-Goricelaya and Julen Ibañez-Azpiroz
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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