SKM 2023 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 61: Focus Session: Frontiers of Electronic-Structure Theory V (joint session O/HL)

Mittwoch, 29. März 2023, 15:00–17:30, TRE Ma

15:00 O 61.1 Phase transitions in the two-dimensional Su-Schrieffer-Heeger model — •Changan Li, Songbo Zhang, Sangjun Choi, Jan Budich, and Björn Trauzettel
15:15 O 61.2 Ab initio embedding approach for carbon defects in hexagonal boron nitride: A new platform to probe environmental screening — •Danis Badrtdinov, Magdalena Grzeszczyk, Alexander Hampel, Cyrus Dreyer, Maciej Koperski, and Malte Rösner
  15:30 O 61.3 The contribution has been withdrawn.
15:45 O 61.4 Time-linear quantum transport simulations with correlated nonequilibrium Green's functions — •Riku Tuovinen, Yaroslav Pavlyukh, Enrico Perfetto, and Gianluca Stefanucci
  16:00 15 min. break
16:15 O 61.5 Topical Talk: Challenges in modelling correlated electronic matter — •Roser Valenti
16:45 O 61.6 Electron-Phonon Interactions from DFPT within an All-Electron Framework — •Sebastian Tillack, Pasquale Pavone, and Claudia Draxl
17:00 O 61.7 Calculation of phonon spectra with the FLAPW method using Density Functional Perturbation Theory — •Alexander Neukirchen, Christian-Roman Gerhorst, Gregor Michalicek, Daniel Wortmann, Gustav Bihlmayer, and Stefan Blügel
17:15 O 61.8 Electron-phonon interaction using a localized Gaussian basis set — •Gerrit Johannes Mann, Thorsten Deilmann, and Michael Rohlfing
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