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O: Fachverband Oberflächenphysik
O 22: Theoretical methods
Montag, 14. März 2011, 17:15–19:30, WIL C107
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17:15 | O 22.1 | High Temperature Thermal Conductivity from First Principles — •Christian Carbogno, Ramamurthy Ramprasad, and Matthias Scheffler |
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17:30 | O 22.2 | Representing Potential-Energy Landscapes by High-Dimensional Neural Networks — Nongnuch Artrith, Tobias Morawietz, and •Jörg Behler |
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17:45 | O 22.3 |
Stress formulation within the FLAPW method — •Aaron Klüppelberg, Gustav Bihlmayer, and Stefan Blügel |
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18:00 | O 22.4 | Massively Parallel Real-Space DFT Calculations — •Paul Baumeister, Daniel Wortmann, Tomoya Ono, and Stefan Blügel |
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18:15 | O 22.5 | Tight-Binding Parameters from DFT Calculations: First Applications to Hydrocarbons — •Alexander Urban, Martin Reese, Matous Mrovec, Christian Elsässer, and Bernd Meyer |
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18:30 | O 22.6 | Localized resolution of identity for efficient Hartree-Fock exchange, based on numeric atom-centered orbitals — •Jürgen Wieferink, Volker Blum, Xinguo Ren, Patrick Rinke, and Matthias Scheffler |
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18:45 | O 22.7 | Accurate Calculation of the Single-Site Green Function in Relativistic Full-Potential Scattering — •Pascal Kordt, Rudolf Zeller, Phivos Mavropoulos, and Stefan Blügel |
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19:00 | O 22.8 | Wavefunction-based correlation method for metals: from bulk to surfaces and interfaces — •Elena Voloshina and Beate Paulus |
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19:15 | O 22.9 | Exchange an Correlation effects in photoemission spectroscopy: from semiconductors to transition metal oxides — •Matteo Guzzo, Matteo Gatti, Francesco Sottile, Pina Romaniello, Fausto Sirotti, John Rehr, and Lucia Reining |