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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.

Received:
Nov 11, 2008
Published:
Nov 21, 2008
MSC Codes:
65F30, 65F50, 65N35
Keywords:
tensor approximation, cross 3D algorithm, quantum chemistry

Related publications

inJournal
2008 Repository Open Access
Dmitry V. Savostyanov, Eugene E. Tyrtyshnikov, Boris N. Khoromskij and Heinz-Jürgen Flad

Verification of the cross 3D algorithm on quantum chemistry data

In: Russian journal of numerical analysis and mathematical modelling, 23 (2008) 4, pp. 329-344