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MiS Preprint
80/2008
Verification of the cross 3d algorithm on quantum chemistry data
Heinz-Jürgen Flad, Boris N. Khoromskij, Dmitry Savostyanov and Eugene E. Tyrtyshnikov
Abstract
A recently developed cross 3d algorithm is applied to approximation of the electron density function. The algorithm is proved to be fast and reliable on a sample of quantum chemistry data produced by the MOLPRO package.
