The DFG-Priority Program 1145 Modern and universal first-principles methods for many-electron systems in chemistry and physics in cooperation with the GAMM Committee Efficient numerical methods for pdes and the Christian-Albrechts-University of Kiel organises the workshop
1st Scientific Computing Seminar
Numerical Analysis in Quantum Chemistry
Christian-Albrechts-University of Kiel, Germany
June 28th to 30th, 2004.
| June 2004 | ||||||
| Su | Mo | Tu | We | Th | Fr | Sa |
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Scientific programme on Tuesday, 29th of June, 2004
| Time | Author(s) / Speaker / Title of the lecture | |
|---|---|---|
| - | Opening of Tuesday session | |
| 8.30 - 9.30 |  | Stefan Goedecker (Basel, Switzerland): Achieving linear scaling in electronic structure calculations and atomistic simulations |
| 9.30 - 10.15 | | Heinz-Jürgen Flad (Leipzig): Wavelet Approach to Jellium-Type Models |
| - | Coffee break | |
| 10.45 - 11.45 | | Wim M. Klopper (Karlsruhe): Convergence behaviour and convergence acceleration of molecular electronic wave functions |
| 11.45 - 12.30 | | Bastiaan J. Braams (Atlanta, USA): The reduced density matrix method for electronic structure calculations, and a new approach for fitting a potential energy surface |
| - | Lunch | |
| 14.00 - 15.00 | | Claude Le Bris (Paris, France): Numerical analysis for computational chemistry: an overview of years of efforts |
| 15.00 - 15.30 | | Dietmar Kolb (Kassel): Minimax Relativistic for Molecules |
| - | Coffee break | |
| 15.50 - 16.50 | | Hans-Joachim Werner (Stuttgart): Local correlation methods combined with density fitting approximations |
| 16.50 - 17.20 | | Arno Schindlmayr (Jülich): Efficient Numerical Implementation of the GW Approximation |
| - | Coffee break | |
| 17.35 - 18.05 | | Peter Koval, Stephan Fritzsche (Kassel): Implicit summation techniques in atomic physics |
| 18.05 - 18.35 | | V. Popescu, H. Ebert, R. Zeller, P. H. Dederichs (München): A fully relativistic implementation of the screened Korringa-Kohn-Rostoker Green's Function method |
| - | End of Tuesday session | |