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Berlin 2015 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 81: Electronic Structure Theory: Many-Body Effects (organized by O)

Mittwoch, 18. März 2015, 18:15–21:00, Poster A

18:15 TT 81.1 Spin Entanglement in Atoms and Molecules — •Stefano Pittalis, Filippo Troiani, Carlo Andrea Rozzi, and Giovanni Vignale
18:15 TT 81.2 The role of the quantum well states in the oscillating behavior of the magnetic anisotropy energy and the orbital moment anisotropy — •Leonid Sandratskii
18:15 TT 81.3 Ab initio calculation of the first order Raman spectrum of graphene and graphite — •Albin Hertrich, Caterina Cocchi, Pasquale Pavone, and Claudia Draxl
18:15 TT 81.4 Thermoelectric clathrates: stability of the Ba8AlxSi46−x and Sr8AlxSi46−x compounds — •Maria Troppenz, Santiago Rigamonti, and Claudia Draxl
18:15 TT 81.5 Atomistic Modeling of Optical Coefficients in Layered Materials — •Christian Vorwerk, Caterina Cocchi, and Claudia Draxl
18:15 TT 81.6 The Novel Materials Discovery (NoMaD) Repository — •Evgeny Blokhin, Fawzi Mohamed, Karsten Hannewald, Luca Ghiringhelli, Pasquale Pavone, Christian Carbogno, Johann-Christoph Freytag, Matthias Scheffler, and Claudia Draxl
18:15 TT 81.7 Acoustic magnons in the long-wavelength limit: resolving the Goldstone violation in many-body perturbation theory — •Mathias C.T.D. Müller, Christoph Friedrich, and Stefan Blügel
18:15 TT 81.8 Electronic Structure of Hybrid Materials by Means of Self-Consistent GW — •Nora Salas-Illanes and Claudia Draxl
18:15 TT 81.9 Size-dependent optical gaps of Cu chalcogenide nanocrystals from GW and the Bethe-Salpeter equation — •Sabine Körbel, Miguel Alexandre Lopes Marques, and Silvana Botti
18:15 TT 81.10 2D Metal Dichalocogenides and Oxides for Hydrogen Evolution: A Computational Approach — •Mohnish Pandey, Aleksandra Vojvodic, Kristian S. Thygesen, and Karsten W. Jacobsen
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