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Title: Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations

Authors:
 [1];  [2];  [3]; ORCiD logo [2];  [4]
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  1. Department of Chemistry, University of Southern California, Los Angeles, California 90089-0482, USA, Department of Chemistry, University of California, Berkeley, California 94720, USA, Q-Chem Inc., 6601 Owens Drive, Suite 105, Pleasanton, California 94588, USA
  2. Institut für Physikalische Chemie, Universität Mainz, D-55099 Mainz, Germany
  3. Department of Chemistry, Centre for Theoretical and Computational Chemistry, University of Oslo, N-0315 Oslo, Norway
  4. Department of Chemistry, University of Southern California, Los Angeles, California 90089-0482, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1229606
Grant/Contract Number:  
FG02-05ER15685
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Name: The Journal of Chemical Physics Journal Volume: 143 Journal Issue: 6; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Epifanovsky, Evgeny, Klein, Kerstin, Stopkowicz, Stella, Gauss, Jürgen, and Krylov, Anna I. Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations. United States: N. p., 2015. Web. doi:10.1063/1.4927785.
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Epifanovsky, Evgeny, Klein, Kerstin, Stopkowicz, Stella, Gauss, Jürgen, & Krylov, Anna I. Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations. United States. doi:10.1063/1.4927785.
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Epifanovsky, Evgeny, Klein, Kerstin, Stopkowicz, Stella, Gauss, Jürgen, and Krylov, Anna I. Tue . "Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations". United States. doi:10.1063/1.4927785.
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@article{osti_1229606,
title = {Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations},
author = {Epifanovsky, Evgeny and Klein, Kerstin and Stopkowicz, Stella and Gauss, Jürgen and Krylov, Anna I.},
abstractNote = {},
doi = {10.1063/1.4927785},
journal = {The Journal of Chemical Physics},
number = 6,
volume = 143,
place = {United States},
year = {2015},
month = {8}
}
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DOI: 10.1063/1.4927785
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