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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]
  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:
Grant/Contract Number:
AC52- 06NA25396
Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Name: The Journal of Chemical Physics Journal Volume: 141 Journal Issue: 18; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1224290

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., Web. doi:10.1063/1.4900988.
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. doi:10.1063/1.4900988.
White, Alexander J., Gorshkov, Vyacheslav N., Wang, Ruixi, Tretiak, Sergei, and Mozyrsky, Dmitry. 2014. "Semiclassical Monte Carlo: A first principles approach to non-adiabatic molecular dynamics". United States. doi:10.1063/1.4900988.
@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 = {The Journal of Chemical Physics},
number = 18,
volume = 141,
place = {United States},
year = {2014},
month = {11}
}