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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