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Title: Semiclassical Monte Carlo: A first principles approach to non-adiabatic molecular dynamics

Authors:
ORCiD logo [1];  [2];  [3];  [4];  [5]
+ Show Author Affiliations
  1. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA, Center for Nonlinear Studies (CNLS), Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA
  2. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA, National Technical University of Ukraine, Kiev 03056, Ukraine
  3. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA, Department of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, Michigan 48202, USA
  4. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA, Center for Nonlinear Studies (CNLS), Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA, Center for Integrated Nanotechnologies (CINT), Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA
  5. Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1224290
Grant/Contract Number:  
AC52- 06NA25396
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 141 Journal Issue: 18; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

White, Alexander J., Gorshkov, Vyacheslav N., Wang, Ruixi, Tretiak, Sergei, and Mozyrsky, Dmitry. Semiclassical Monte Carlo: A first principles approach to non-adiabatic molecular dynamics. United States: N. p., 2014. Web. doi:10.1063/1.4900988.
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White, Alexander J., Gorshkov, Vyacheslav N., Wang, Ruixi, Tretiak, Sergei, & Mozyrsky, Dmitry. Semiclassical Monte Carlo: A first principles approach to non-adiabatic molecular dynamics. United States. https://doi.org/10.1063/1.4900988
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White, Alexander J., Gorshkov, Vyacheslav N., Wang, Ruixi, Tretiak, Sergei, and Mozyrsky, Dmitry. Mon . "Semiclassical Monte Carlo: A first principles approach to non-adiabatic molecular dynamics". United States. https://doi.org/10.1063/1.4900988.
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@article{osti_1224290,
title = {Semiclassical Monte Carlo: A first principles approach to non-adiabatic molecular dynamics},
author = {White, Alexander J. and Gorshkov, Vyacheslav N. and Wang, Ruixi and Tretiak, Sergei and Mozyrsky, Dmitry},
abstractNote = {},
doi = {10.1063/1.4900988},
journal = {Journal of Chemical Physics},
number = 18,
volume = 141,
place = {United States},
year = {Mon Nov 10 00:00:00 EST 2014},
month = {Mon Nov 10 00:00:00 EST 2014}
}
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https://doi.org/10.1063/1.4900988
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