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O 61: Frontiers in Electronic-Structure Theory - Focus on Electron-Phonon Interactions III (joint session O/CPP/DS/HL)
Wednesday, March 18, 2020, 10:30–13:30, GER 38
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10:30 |
O 61.1 |
Invited Talk:
Hybrid Perovskites: polarons, excitons and phase diagrams — •Georg Kresse, Menno Bokdam, and Ryosuke Jinnouchi
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11:00 |
O 61.2 |
Assessing ab-initio methodology to compute electronic properties of organic-inorganic metal halide perovskites — •Cecilia Vona, Dmitrii Nabok, and Claudia Draxl
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11:15 |
O 61.3 |
Rashba-Dresselhaus Effect in Two Dimensional Layered Halide Perovskites — •Benedikt Maurer, Claudia Draxl, and Christian Vorwerk
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11:30 |
O 61.4 |
Intrinsic polarons on polar surfaces — •Michele Reticcioli, Zhichang Wang, Igor Sokolovic, Michael Schmid, Ulrike Diebold, Martin Setvin, and Cesare Franchini
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11:45 |
O 61.5 |
Polarons in extended p-conjugated systems: the role of electron correlation. — •Daniele Fazzi, Klaus Meerholz, and Fabrizia Negri
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12:00 |
O 61.6 |
Optical and x-ray absorption spectra of MgO from first-principles including many-body effects — •Vijaya Begum, Markus E Gruner, and Rossitza Pentcheva
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12:15 |
O 61.7 |
Strain effects on the lattice-dynamical properties of titanium dioxide — •Peter Weber, Sebastian Tillack, Pasquale Pavone, and Claudia Draxl
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12:30 |
O 61.8 |
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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12:45 |
O 61.9 |
Toward a general non-local polarizability density functional for van der Waals dispersion interactions — •Szabolcs Góger, Dmitry Fedorov, Péter Szabó, and Alexandre Tkatchenko
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13:00 |
O 61.10 |
Insights into van der Waals interactions from the quantum Drude oscillator model — •Dmitry Fedorov, Martin Stöhr, and Alexandre Tkatchenko
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13:15 |
O 61.11 |
Conical intersections in molecular systems: 3D vs 2D models — •Erik Pillon, Dmitry Fedorov, Péter Szabó, and Alexandre Tkatchenko
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