Stabilized quasi-Newton optimization of noisy potential energy surfaces-Reference-Cited by-同舟云学术

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Stabilized quasi-Newton optimization of noisy potential energy surfaces

Published:2015-01-21 Issue:3 Volume:142 Page:034112
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Schaefer Bastian¹,Alireza Ghasemi S.²,Roy Shantanu³,Goedecker Stefan¹

Affiliation:

1. Department of Physics, University of Basel, Klingelbergstrasse 82, CH-4056 Basel, Switzerland

2. Institute for Advanced Studies in Basic Sciences, P.O. Box 45195-1159, IR-Zanjan, Iran

3. Computational and Systems Biology, Biozentrum, University of Basel, CH-4056 Basel, Switzerland

Funder

Indo Swiss Joint Research Programme

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4905665

Reference43 articles.

1. The Activated Complex in Chemical Reactions

2. Convergence acceleration of iterative sequences. the case of scf iteration

3. ImprovedSCF convergence acceleration

4. Methods of conjugate gradients for solving linear systems

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