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Title: Perturbative universal state-selective correction for state-specific multi-reference coupled cluster methods

Authors:
ORCiD logo [1] ; ORCiD logo [1] ;  [2] ;  [1]
  1. J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, CZ-18223 Prague 8, Czech Republic
  2. William R. Wiley Environmental Molecular Sciences Laboratory, Battelle, Pacific Northwest National Laboratory, K8-91, P.O. Box 999, Richland, Washington 99352, USA
Publication Date:
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 145 Journal Issue: 16; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE Office of Science (SC), Biological and Environmental Research (BER) (SC-23)
Country of Publication:
United States
Language:
English
OSTI Identifier:
1420729

Brabec, Jiri, Banik, Subrata, Kowalski, Karol, and Pittner, Jiří. Perturbative universal state-selective correction for state-specific multi-reference coupled cluster methods. United States: N. p., Web. doi:10.1063/1.4965826.
Brabec, Jiri, Banik, Subrata, Kowalski, Karol, & Pittner, Jiří. Perturbative universal state-selective correction for state-specific multi-reference coupled cluster methods. United States. doi:10.1063/1.4965826.
Brabec, Jiri, Banik, Subrata, Kowalski, Karol, and Pittner, Jiří. 2016. "Perturbative universal state-selective correction for state-specific multi-reference coupled cluster methods". United States. doi:10.1063/1.4965826.
@article{osti_1420729,
title = {Perturbative universal state-selective correction for state-specific multi-reference coupled cluster methods},
author = {Brabec, Jiri and Banik, Subrata and Kowalski, Karol and Pittner, Jiří},
abstractNote = {},
doi = {10.1063/1.4965826},
journal = {Journal of Chemical Physics},
number = 16,
volume = 145,
place = {United States},
year = {2016},
month = {10}
}

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