Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics.

Makhov, DV, Glover, WJ, Martinez, TJ et al. (1 more author) (2014) Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics. Journal of Chemical Physics, 141 (5). 054110. ISSN 0021-9606

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Copyright, Publisher and Additional Information: Copyright 2014 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Makhov DV, Glover WJ, Martinez TJ, Shalashilin DV (2014) Journal of Chemical Physics 141, 054110 and may be found at http://dx.doi.org/10.1063/1.4891530
Keywords: Algorithms; Computer Simulation; Energy Transfer; Models, Chemical; Molecular Dynamics Simulation; Phase Transition; Quantum Theory; Software; Thermodynamics
Dates:
  • Published: 7 August 2014
  • Accepted: 6 June 2014
  • Published (online): 6 August 2014
Institution: The University of Leeds
Academic Units: The University of Leeds > Faculty of Maths and Physical Sciences (Leeds) > School of Chemistry (Leeds) > Physical Chemistry (Leeds)
Depositing User: Symplectic Publications
Date Deposited: 09 Oct 2015 14:24
Last Modified: 14 May 2019 10:03
Published Version: http://dx.doi.org/10.1063/1.4891530
Status: Published
Publisher: American Institute of Physics
Identification Number: https://doi.org/10.1063/1.4891530
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