Regensburg 2010 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 10: Methods: Electronic structure theory & Methods: other (theory)

Montag, 22. März 2010, 15:00–17:15, H31

15:00 O 10.1 The importance of van der Waals dispersion forces in ice — •Biswajit Santra, Angelos Michaelides, and Matthias Scheffler
15:15 O 10.2 Density functional calculations for thousands of atoms: KKRnano - recent developments and first applications — •Alexander Thiess, Rudolf Zeller, and Stefan Blügel
15:30 O 10.3 Using the kinetic energy density in local density functionals — •Georg Madsen, Lara Ferrighi, and Bjork Hammer
15:45 O 10.4 Adsorption behavior of super-heavy elements from 112 to 118 on inert and metal surfaces — •Josef Anton and Timo Jacob
16:00 O 10.5 Real-Space DFT for large Molecules on Surfaces — •Paul Baumeister, Daniel Wortmann, Tomoya Ono, and Stefan Blügel
16:15 O 10.6 Van der Waals forces in solids: Challenges for density functionals — •Guo-Xu Zhang, Alexandre Tkatchenko, and Matthias Scheffler
16:30 O 10.7 Exchange an Correlation effects in the electronic properties of transition metal oxides: the example of NiO — •Matteo Guzzo, Matteo Gatti, and Lucia Reining
16:45 O 10.8 Determination of structural and electronic properties of different titanates by means of XANES — •Stephan Borek, Remya Govind, Martin Trautmann, Franziska Steudel, Michael Huth, Liudmilla Makhova, Joachim Gräfe, Daniel Wett, Karl-Michael Schindler, Reinhard Denecke, and Angelika Chassé
17:00 O 10.9 Particle redeposition and the non-local damping term in the Kuramoto-Sivashinsky equation — •Nils Anspach and Stefan Linz
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