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Title: Combining the mapping Hamiltonian linearized semiclassical approach with the generalized quantum master equation to simulate electronically nonadiabatic molecular dynamics

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [1]
  1. Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, USA
  2. Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, USA, Department of Chemistry and Biochemistry, Kent State University, Kent, Ohio 44242, USA
  3. Department of Chemistry and Biochemistry, Kent State University, Kent, Ohio 44242, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1557380
Grant/Contract Number:  
SC0016501
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 151 Journal Issue: 7; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Mulvihill, Ellen, Gao, Xing, Liu, Yudan, Schubert, Alexander, Dunietz, Barry D., and Geva, Eitan. Combining the mapping Hamiltonian linearized semiclassical approach with the generalized quantum master equation to simulate electronically nonadiabatic molecular dynamics. United States: N. p., 2019. Web. doi:10.1063/1.5110891.
Mulvihill, Ellen, Gao, Xing, Liu, Yudan, Schubert, Alexander, Dunietz, Barry D., & Geva, Eitan. Combining the mapping Hamiltonian linearized semiclassical approach with the generalized quantum master equation to simulate electronically nonadiabatic molecular dynamics. United States. doi:10.1063/1.5110891.
Mulvihill, Ellen, Gao, Xing, Liu, Yudan, Schubert, Alexander, Dunietz, Barry D., and Geva, Eitan. Wed . "Combining the mapping Hamiltonian linearized semiclassical approach with the generalized quantum master equation to simulate electronically nonadiabatic molecular dynamics". United States. doi:10.1063/1.5110891.
@article{osti_1557380,
title = {Combining the mapping Hamiltonian linearized semiclassical approach with the generalized quantum master equation to simulate electronically nonadiabatic molecular dynamics},
author = {Mulvihill, Ellen and Gao, Xing and Liu, Yudan and Schubert, Alexander and Dunietz, Barry D. and Geva, Eitan},
abstractNote = {},
doi = {10.1063/1.5110891},
journal = {Journal of Chemical Physics},
number = 7,
volume = 151,
place = {United States},
year = {2019},
month = {8}
}

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