O 2: Focussed session: Theory and computation of electronic structure: new frontiers I (jointly with HL, DS)
Monday, March 14, 2011, 11:15–13:00, TRE Phy
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11:15 |
O 2.1 |
Topical Talk:
Range separation: success, doubts and perspectives — •Andreas Savin
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11:45 |
O 2.2 |
Van der Waals interactions in semiconductor solids — •Guo-Xu Zhang, Alexandre Tkatchenko, Joachim Paier, Heiko Appel, and Matthias Scheffler
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12:00 |
O 2.3 |
Van der Waals interactions in complex materials: Beyond the pairwise approximation — •Alexandre Tkatchenko, Robert A. DiStasio Jr., Roberto Car, and Matthias Scheffler
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12:15 |
O 2.4 |
The random phase approximation and beyond: an assessment for molecular binding energies and reaction barrier heights — •Xinguo Ren, Joachim Paier, Patrick Rinke, Andreas Grüneis, Georg Kresse, Gustavo E. Scuseria, and Matthias Scheffler
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12:30 |
O 2.5 |
AuN clusters (N=1-6) supported on MgO(100) surfaces: the effect of exact exchange and dispersion interactions on adhesion energies. — •Lauro Oliver Paz-Borbón, Giovanni Barcaro, Alessandro Fortunelli, Sergey Levchenko, and Matthias Scheffler
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12:45 |
O 2.6 |
One dimensional model systems in time-dependent density functional theory — •Nicole Helbig, Johanna I. Fuks, Ilya V. Tokatly, and Angel Rubio
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