full
search.png

Search

close.png

Cancel

Volume 5, Issue 1
Entangled Trajectory Molecular Dynamics Theory for the Collinear $H+H_2$ Reaction

Lifei Wang, Feng Xu & Yujun Zheng

DOI: 10.4208/jams.050213.070413a

J. At. Mol. Sci., 5 (2014), pp. 21-25.

Published online: 2014-05

Preview Full PDF 2185 18324

Cited by

google scholar semantic scholar
Export citation
  • 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.

  • Keywords

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

  • AMS Subject Headings

  • Copyright

COPYRIGHT: © Global Science Press

  • Email address
  • BibTex
  • RIS
  • TXT
@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.

Lifei Wang, Feng Xu & Yujun Zheng. (1970). 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
Copy to clipboard
BibteX RIS TXT
The citation has been copied to your clipboard