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Title: Calculations of non-adiabatic couplings within equation-of-motion coupled-cluster framework: Theory, implementation, and validation against multi-reference methods

Authors:
ORCiD logo [1];  [2]; ORCiD logo [3]
  1. Department of Chemistry, University of Southern California, Los Angeles, California 90089, USA, Zernike Institute for Advanced Materials, Groningen, The Netherlands
  2. Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, USA
  3. Department of Chemistry, University of Southern California, Los Angeles, California 90089, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1417718
Grant/Contract Number:
FG02-05ER15685
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 148; Journal Issue: 4; Related Information: CHORUS Timestamp: 2018-02-15 00:35:52; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Faraji, Shirin, Matsika, Spiridoula, and Krylov, Anna I. Calculations of non-adiabatic couplings within equation-of-motion coupled-cluster framework: Theory, implementation, and validation against multi-reference methods. United States: N. p., 2018. Web. doi:10.1063/1.5009433.
Faraji, Shirin, Matsika, Spiridoula, & Krylov, Anna I. Calculations of non-adiabatic couplings within equation-of-motion coupled-cluster framework: Theory, implementation, and validation against multi-reference methods. United States. doi:10.1063/1.5009433.
Faraji, Shirin, Matsika, Spiridoula, and Krylov, Anna I. Sun . "Calculations of non-adiabatic couplings within equation-of-motion coupled-cluster framework: Theory, implementation, and validation against multi-reference methods". United States. doi:10.1063/1.5009433.
@article{osti_1417718,
title = {Calculations of non-adiabatic couplings within equation-of-motion coupled-cluster framework: Theory, implementation, and validation against multi-reference methods},
author = {Faraji, Shirin and Matsika, Spiridoula and Krylov, Anna I.},
abstractNote = {},
doi = {10.1063/1.5009433},
journal = {Journal of Chemical Physics},
number = 4,
volume = 148,
place = {United States},
year = {Sun Jan 28 00:00:00 EST 2018},
month = {Sun Jan 28 00:00:00 EST 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on January 22, 2019
Publisher's Accepted Manuscript

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