@Article{JAMS-5-21,
author = {Wang , LifeiXu , Feng and Zheng , Yujun},
title = {Entangled Trajectory Molecular Dynamics Theory for the Collinear $H+H_2$ Reaction},
journal = {Journal of Atomic and Molecular Sciences},
year = {2014},
volume = {5},
number = {1},
pages = {21--25},
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.
},
issn = {2079-7346},
doi = {https://doi.org/10.4208/jams.050213.070413a},
url = {http://global-sci.org/intro/article_detail/jams/8286.html}
}
TY - JOUR
T1 - Entangled Trajectory Molecular Dynamics Theory for the Collinear $H+H_2$ Reaction
AU - Wang , Lifei
AU - Xu , Feng
AU - Zheng , Yujun
JO - Journal of Atomic and Molecular Sciences
VL - 1
SP - 21
EP - 25
PY - 2014
DA - 2014/05
SN - 5
DO - http://doi.org/10.4208/jams.050213.070413a
UR - https://global-sci.org/intro/article_detail/jams/8286.html
KW - quantum phase space, Wigner function, entangled trajectory molecular dynamics.
AB -
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.
Wang , LifeiXu , Feng and Zheng , Yujun. (2014). Entangled Trajectory Molecular Dynamics Theory for the Collinear $H+H_2$ Reaction.
Journal of Atomic and Molecular Sciences. 5 (1).
21-25.
doi:10.4208/jams.050213.070413a
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