SurfaceScience21 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 53: Poster Session IV: Poster to Mini-Symposium: Frontiers of electronic-structure theory I
Dienstag, 2. März 2021, 13:30–15:30, P
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13:30 | O 53.1 | Broken adiabaticity induced by Lifshitz transition in MoS2 and WS2 single layers — •Dino Novko |
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13:30 | O 53.2 | Ab initio study of Heat Capacities and Energy Dispersions in Antiferromagnetic L10-type MnPt — •Kisung Kang, David G. Cahill, and André Schleife |
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13:30 | O 53.3 | Surface Vibrations Enhance Intramolecular Hydrogen Tunneling in (some) Molecular Switches — •Yair Litman and Mariana Rossi |
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13:30 | O 53.4 | The effects of quantum nuclei in metal-molecular interfaces — •Karen Fidanyan and Mariana Rossi |
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13:30 | O 53.5 | Tunnelling with Non-Adiabatic Effects: H-Diffusion in Pd — •Eszter Sarolta Pós, Yair Litman, and Mariana Rossi |
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13:30 | O 53.6 | Nonadiabatic renormalization of electron-phonon interaction in graphene-based materials — •Nina Girotto and Dino Novko |
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13:30 | O 53.7 | Polaron and multi-charged states in extended p-conjugated systems: the role of electron correlation. — •Daniele Fazzi, Klaus Meerholz, and Fabrizia Negri |