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Numerical View of Kiel

The interdisciplinary center of numerical simulation of the Christian-Albrechts-University of Kiel in cooperation with the GAMM Committee Efficient numerical methods for pdes organises the workshop

2nd Scientific Computing Seminar

Approximation in High Dimensions and the Electronic Schrödinger Equation

Christian-Albrechts-University of Kiel, Germany
June 29th to July 1st, 2006.

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15.30 - 16.15 Michael Griebel, Jan Hamaekers (Bonn):
A wavelet based sparse grid method for the electronic Schrödinger equation

Thursday
29.6.2006

We present a direct discretization of the electronic Schrödinger equation. It is based on one-dimensional Meyer wavelets from which we build an anisotropic multiresolution analysis for general particle spaces by a tensor product construction. We restrict these spaces to the case of antisymmetric functions. To obtain finite-dimensional subspaces we first discuss semi-discretization with respect to the scale parameter by means of sparse grids which relies on mixed regularity and decay properties of the electronic wave functions. We then propose different techniques for a discretization with respect to the position parameter. Furthermore we present the results of our numerical experiments using this new generalized sparse grid methods for Schrödinger's equation.

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