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Title: Communication: Application of state-specific multireference coupled cluster methods to core-level excitations

Authors:
 [1] ;  [2] ;  [2] ;  [1] ;  [2]
  1. J. Heyrovský Institute of Physical Chemistry, v.v.i., Academy of Sciences of the Czech Republic, Dolejškova 3, 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:
Grant/Contract Number:
AC06-76RLO-1830
Type:
Published Article
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Name: The Journal of Chemical Physics Journal Volume: 137 Journal Issue: 17; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1074842

Brabec, Jiří, Bhaskaran-Nair, Kiran, Govind, Niranjan, Pittner, Jiří, and Kowalski, Karol. Communication: Application of state-specific multireference coupled cluster methods to core-level excitations. United States: N. p., Web. doi:10.1063/1.4764355.
Brabec, Jiří, Bhaskaran-Nair, Kiran, Govind, Niranjan, Pittner, Jiří, & Kowalski, Karol. Communication: Application of state-specific multireference coupled cluster methods to core-level excitations. United States. doi:10.1063/1.4764355.
Brabec, Jiří, Bhaskaran-Nair, Kiran, Govind, Niranjan, Pittner, Jiří, and Kowalski, Karol. 2012. "Communication: Application of state-specific multireference coupled cluster methods to core-level excitations". United States. doi:10.1063/1.4764355.
@article{osti_1074842,
title = {Communication: Application of state-specific multireference coupled cluster methods to core-level excitations},
author = {Brabec, Jiří and Bhaskaran-Nair, Kiran and Govind, Niranjan and Pittner, Jiří and Kowalski, Karol},
abstractNote = {},
doi = {10.1063/1.4764355},
journal = {The Journal of Chemical Physics},
number = 17,
volume = 137,
place = {United States},
year = {2012},
month = {11}
}

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