Entangled Trajectory Molecular Dynamics Theory for the Collinear $H+H_2$ Reaction

Authors

  • Lifei Wang School of Physics, Shandong University, Jinan 250100, China
  • Feng Xu School of Physics, Shandong University, Jinan 250100, China
  • Yujun Zheng School of Physics, Shandong University, Jinan 250100, China

DOI:

https://doi.org/10.4208/jams.050213.070413a

Keywords:

quantum phase space, Wigner function, entangled trajectory molecular dynamics.

Abstract

The recently formulated entangled trajectory molecular dynamics (ETMD) theory is applied to the collinear hydrogen exchange reaction. The reaction probability is calculated for one- and two-dimensional of collinear $H+H_2$ model. It is found that although the results of ETMD are not in good agreement with quantum mechanics simulations, the numerical trend is consistent with each other.

Downloads

Published

2014-05-01

Issue

Vol. 5 No. 1 (2014)

Section

Articles