Berlin 2012 –
wissenschaftliches Programm
O 55: Theoretical methods II
Mittwoch, 28. März 2012, 16:45–19:15, MA 043
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16:45 |
O 55.1 |
Interacting electrons in a quantum dot: A wave packet approach — •Johannes Eiglsperger, Susmita Roy, Christian Bracher, and Tobias Kramer
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17:00 |
O 55.2 |
DFT based tight-binding with environment-dependent crystal field splittings — •Alexander Urban, Matous Mrovec, Christian Elsässer, and Bernd Meyer
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17:15 |
O 55.3 |
Ferrocene-Peptide Charge Transfer on Gold Surface: a First Principles Study — •Filipe C. D. A. Lima, Arrigo Calzolari, and Helena M. Petrilli
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17:30 |
O 55.4 |
Redshift of excitons in carbon nanotubes caused by the environment polarizability: A BSE study — •Michael Rohlfing
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17:45 |
O 55.5 |
xcitons in solids captured with bootstrap approximation for the exchange-correlation kernel of time-dependent density functional theory — •Sangeeta Sharma, J. K. Dewhurst, A. Sanna, and E. K. U. Gross
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18:00 |
O 55.6 |
One-particle excitation energies and optical spectra of alkali-metal fluorides, oxides and nitrides — •Christoph Sommer, Peter Krüger, and Johannes Pollmann
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18:15 |
O 55.7 |
The Role of van der Waals Interactions for Non-Metallic Solids — •Guo-Xu Zhang, Alexandre Tkatchenko, and Matthias Scheffler
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18:30 |
O 55.8 |
Dispersion corrected DFT studies of molecule-surface interactions — •Katrin Tonigold and Axel Groß
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18:45 |
O 55.9 |
A High-Dimensional Neural Network Potential for Water: First Applications to Water Clusters — •Tobias Morawietz, Vikas Sharma, and Jörg Behler
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19:00 |
O 55.10 |
Static and Frequency Dependent Dipole Polarizabilities from the Ground-State Electron Density — •Vivekanand Gobre, Robert DiStasio Jr., Matthias Scheffler, and Alexandre Tkatchenko
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