skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Stochastic algorithm for size-extensive vibrational self-consistent field methods on fully anharmonic potential energy surfaces

Authors:
 [1];  [2]
  1. Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801, USA
  2. Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801, USA, CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012, Japan
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1226649
Grant/Contract Number:  
FG02-11ER16211
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Name: The Journal of Chemical Physics Journal Volume: 141 Journal Issue: 24; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Hermes, Matthew R., and Hirata, So. Stochastic algorithm for size-extensive vibrational self-consistent field methods on fully anharmonic potential energy surfaces. United States: N. p., 2014. Web. doi:10.1063/1.4904220.
Hermes, Matthew R., & Hirata, So. Stochastic algorithm for size-extensive vibrational self-consistent field methods on fully anharmonic potential energy surfaces. United States. doi:10.1063/1.4904220.
Hermes, Matthew R., and Hirata, So. Tue . "Stochastic algorithm for size-extensive vibrational self-consistent field methods on fully anharmonic potential energy surfaces". United States. doi:10.1063/1.4904220.
@article{osti_1226649,
title = {Stochastic algorithm for size-extensive vibrational self-consistent field methods on fully anharmonic potential energy surfaces},
author = {Hermes, Matthew R. and Hirata, So},
abstractNote = {},
doi = {10.1063/1.4904220},
journal = {The Journal of Chemical Physics},
number = 24,
volume = 141,
place = {United States},
year = {Tue Dec 30 00:00:00 EST 2014},
month = {Tue Dec 30 00:00:00 EST 2014}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1063/1.4904220

Citation Metrics:
Cited by: 3 works
Citation information provided by
Web of Science

Save / Share:

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