O 49: Ab-initio approaches to excitations in condensed matter II
Donnerstag, 26. März 2009, 10:30–13:30, SCH 251
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10:30 |
O 49.1 |
Effects of electron-phonon interaction beyond mean-field approximation in the non-adiabatic dynamics of photo-excited short polyacetylene chains — •Lorenzo Stella
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10:45 |
O 49.2 |
Fully relativistic one-step theory of photoemission: chemical disorder and correlation — •Jan Minar, Jurgen Braun, and Hubert Ebert
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11:00 |
O 49.3 |
Transforming Nonlocality into a Frequency Dependence: A Shortcut to Spectroscopy — •Matteo Gatti, Valerio Olevano, Ilya Tokatly, and Lucia Reining
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11:15 |
O 49.4 |
Kohn-Sham scheme for frequency dependent linear response — •Ryan Requist and Oleg Pankratov
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11:30 |
O 49.5 |
Time-dependent density functional study of S1 ← S0 transition of 2,3-benzofluorene — •Davoud Pouladsaz, Gael Rouillé, Friedrich Huisken, Michael Schreiber, and Reinhard Scholz
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11:45 |
O 49.6 |
Ab-initio Study of the Electronic and Optical Properties of MnO, FeO, CoO, and NiO — •Claudia Rödl, Frank Fuchs, Jürgen Furthmüller, and Friedhelm Bechstedt
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12:00 |
O 49.7 |
Influence of free carrier absorption on the optical spectrum of ZnO — •André Schleife, Emmanouil Kioupakis, Patrick Rinke, Claudia Rödl, Frank Fuchs, Chris G. Van de Walle, and Friedhelm Bechstedt
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12:15 |
O 49.8 |
Tailoring High-Order Harmonics: A Computational Approach Based on Time-Dependent Density-Functional Theory — •Alberto Castro, Ali Akbari, Angel Rubio, and Eberhard Gross
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12:30 |
O 49.9 |
Optical properties of molecular crystals: Periodicity meets molecular deformation patterns — •Reinhard Scholz and Linus Gisslen
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12:45 |
O 49.10 |
The multiconfigurational time-dependent Hartree-Fock method for excited states: Theory and application to conjugated polymers — •Rafael P. Miranda, Andrew P. Horsfield, and Andrew J. Fisher
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13:00 |
O 49.11 |
Reduction of the number of orbital products and computation of molecular spectra from the Gross-Petersilka-Grabo equation — •Dietrich Foerster and Peter Koval
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13:15 |
O 49.12 |
Product basis set in TDDFT: molecular absorption spectra within linear response. — •Peter Koval and Dietrich Foerster
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