@Article{JAMS-5-1, author = {Wang, Lifei and Xu, 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 = {https://global-sci.com/article/74285/entangled-trajectory-molecular-dynamics-theory-for-the-collinear-hh-2-reaction} }