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Title: Reduced-cost sparsity-exploiting algorithm for solving coupled-cluster equations: Reduced-Cost Sparsity-Exploiting Algorithm for Solving CC Equations

Authors:
 [1] ;  [1] ;  [2] ;  [3] ;  [1]
  1. Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley California 94720
  2. Department of Chemistry, University of Southern California, Los Angeles California 90089-0482, Q-Chem Inc, Suite 105 Pleasanton California 94588
  3. Department of Chemistry, University of Southern California, Los Angeles California 90089-0482
Publication Date:
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Computational Chemistry
Additional Journal Information:
Journal Name: Journal of Computational Chemistry Journal Volume: 37 Journal Issue: 12; Journal ID: ISSN 0192-8651
Publisher:
Wiley Blackwell (John Wiley & Sons)
Sponsoring Org:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR) (SC-21); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
OSTI Identifier:
1401180

Brabec, Jiri, Yang, Chao, Epifanovsky, Evgeny, Krylov, Anna I., and Ng, Esmond. Reduced-cost sparsity-exploiting algorithm for solving coupled-cluster equations: Reduced-Cost Sparsity-Exploiting Algorithm for Solving CC Equations. United States: N. p., Web. doi:10.1002/jcc.24293.
Brabec, Jiri, Yang, Chao, Epifanovsky, Evgeny, Krylov, Anna I., & Ng, Esmond. Reduced-cost sparsity-exploiting algorithm for solving coupled-cluster equations: Reduced-Cost Sparsity-Exploiting Algorithm for Solving CC Equations. United States. doi:10.1002/jcc.24293.
Brabec, Jiri, Yang, Chao, Epifanovsky, Evgeny, Krylov, Anna I., and Ng, Esmond. 2016. "Reduced-cost sparsity-exploiting algorithm for solving coupled-cluster equations: Reduced-Cost Sparsity-Exploiting Algorithm for Solving CC Equations". United States. doi:10.1002/jcc.24293.
@article{osti_1401180,
title = {Reduced-cost sparsity-exploiting algorithm for solving coupled-cluster equations: Reduced-Cost Sparsity-Exploiting Algorithm for Solving CC Equations},
author = {Brabec, Jiri and Yang, Chao and Epifanovsky, Evgeny and Krylov, Anna I. and Ng, Esmond},
abstractNote = {},
doi = {10.1002/jcc.24293},
journal = {Journal of Computational Chemistry},
number = 12,
volume = 37,
place = {United States},
year = {2016},
month = {1}
}

Works referenced in this record:

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
journal, September 2010
  • Valiev, M.; Bylaska, E. J.; Govind, N.
  • Computer Physics Communications, Vol. 181, Issue 9, p. 1477-1489
  • DOI: 10.1016/j.cpc.2010.04.018