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Low-memory iterative density fitting

Published:2015-06-08 Issue:20 Volume:36 Page:1521-1535
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Grajciar Lukáš¹

Affiliation:

1. Otto-Schott-Institut für Materialforschung; Friedrich-Schiller-Universität Jena; Löbdergraben 32 07743 Jena Germany

Funder

Deutsche Forschungsgemeinschaft

Fonds der Chemischen Industrie

TURBOMOLE GmbH

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23961/fullpdf

Reference50 articles.

1. Linear Scaling Density Functional Calculations with Gaussian Orbitals

2. Fast assembly of the Coulomb matrix: A quantum chemical tree code

3. Fast evaluation of the Coulomb energy for electron densities

4. Fast evaluation of the Coulomb potential for electron densities using multipole accelerated resolution of identity approximation

5. Reduced scaling in electronic structure calculations using Cholesky decompositions

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