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

Authors:
 [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:
OSTI Identifier:
1224290
Grant/Contract Number:
AC52- 06NA25396
Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
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