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Title: Quantum Monte Carlo benchmark of exchange-correlation functionals for bulk water

Authors:
; ; ; ; ;
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF); Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1226954
Report Number(s):
LLNL-JRNL-648576
Journal ID: ISSN 1549-9618
DOE Contract Number:  
AC52-07NA27344
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Theory and Computation
Additional Journal Information:
Journal Volume: 10; Journal Issue: 6; Journal ID: ISSN 1549-9618
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Morales, M A, Gergely, J R, McMinis, J, McMahon, J M, Kim, J, and Ceperley, D M. Quantum Monte Carlo benchmark of exchange-correlation functionals for bulk water. United States: N. p., 2014. Web. doi:10.1021/ct500129p.
Morales, M A, Gergely, J R, McMinis, J, McMahon, J M, Kim, J, & Ceperley, D M. Quantum Monte Carlo benchmark of exchange-correlation functionals for bulk water. United States. https://doi.org/10.1021/ct500129p
Morales, M A, Gergely, J R, McMinis, J, McMahon, J M, Kim, J, and Ceperley, D M. 2014. "Quantum Monte Carlo benchmark of exchange-correlation functionals for bulk water". United States. https://doi.org/10.1021/ct500129p. https://www.osti.gov/servlets/purl/1226954.
@article{osti_1226954,
title = {Quantum Monte Carlo benchmark of exchange-correlation functionals for bulk water},
author = {Morales, M A and Gergely, J R and McMinis, J and McMahon, J M and Kim, J and Ceperley, D M},
abstractNote = {},
doi = {10.1021/ct500129p},
url = {https://www.osti.gov/biblio/1226954}, journal = {Journal of Chemical Theory and Computation},
issn = {1549-9618},
number = 6,
volume = 10,
place = {United States},
year = {Thu Jan 16 00:00:00 EST 2014},
month = {Thu Jan 16 00:00:00 EST 2014}
}

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