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O: Fachverband Oberflächenphysik

O 82: Poster Session VI: Poster to Mini-Symposium: Frontiers of electronic-structure theory III

Wednesday, March 3, 2021, 13:30–15:30, P

13:30 O 82.1 Diagrammatic Monte Carlo study of the acoustic lattice polaron — •Thomas Hahn, Andrey Mishchenko, Naoto Nagaosa, and Cesare Franchini
13:30 O 82.2 First principles study of spin spirals in the multiferroic BiFeO3 — •Sebastian Meyer, Bin Xu, Matthieu Verstraete, Laurent Bellaiche, and Bertrand Dupé
13:30 O 82.3 Influence of electronic excitations on defect formation on GaAs — •Daniel Muñoz-Santiburcio, Natalia Koval, Fabiana Da Pieve, and Emilio Artacho
13:30 O 82.4 Optimized effective potentials to increase the accuracy of approximate proton transfer energy calculations in the excited state — •Pouya Partovi-Azar and Daniel Sebastiani
13:30 O 82.5 Assessment of the Ab Initio Bethe-Salpeter Equation Approach for the Low-Lying Excitation Energies of Bacteriochlorophylls and Chlorophylls — •Zohreh Hashemi and Linn Leppert
13:30 O 82.6 microscopic modeling of rare-earth perovskite properties — •alireza sasani, jorge iniguez, and eric bousquet
13:30 O 82.7 Ab initio phonon self-energies and fluctuation diagnostics of phonon anomalies: Lattice instabilities from Dirac pseudospin physics in transition metal dichalcogenides — •Jan Berges, Erik van Loon, Arne Schobert, Malte Rösner, and Tim Wehling
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