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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] ;  [2] ;  [4]
  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:
OSTI Identifier:
1229606
Grant/Contract Number:
FG02-05ER15685
Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 143; Journal Issue: 6; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English