Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations
- Authors:
-
[1]
; [2]
; [3]
;
[2]
; [4]
- 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
- Institut für Physikalische Chemie, Universität Mainz, D-55099 Mainz, Germany
- Department of Chemistry, Centre for Theoretical and Computational Chemistry, University of Oslo, N-0315 Oslo, Norway
- Department of Chemistry, University of Southern California, Los Angeles, California 90089-0482, USA
- Publication Date:
- Grant/Contract Number:
- FG02-05ER15685
- 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
- Sponsoring Org:
- USDOE
- Country of Publication:
- United States
- Language:
- English
- OSTI Identifier:
- 1229606
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.,
Web. doi:10.1063/1.4927785.
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.
Epifanovsky, Evgeny, Klein, Kerstin, Stopkowicz, Stella, Gauss, Jürgen, and Krylov, Anna I. 2015.
"Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations". United States.
doi:10.1063/1.4927785.
@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}
}