@Article{JAMS-7-2,
author = {Dahai, Cheng and Yuan, Jiuchuang and Maodu, Chen},
title = {The Non-Adiabatic Stereodynamics Study for the Reaction of $Na(3s)+H_2→NaH (X^1Σ^+)+H$},
journal = {Journal of Atomic and Molecular Sciences},
year = {2016},
volume = {7},
number = {2},
pages = {77--86},
abstract = {<p style="text-align: justify;">A theoretical investigation of the non-adiabatic dynamics processes for the
reaction $Na(3s) + H_2 → NaH (X¹Σ^+) + H$ has been performed using the method of coherence
switching with decay of mixing (CSDM). The integral cross sections calculated
by the CSDM method are compared with the results from an adiabatic quasiclassical
trajectory (QCT) calculation, which uses the same potential energy in the adiabatic
representation. The product rotational polarization in non-adiabatic dynamics is presented
and compared with the adiabatic results by means of the joint distributions of
rotational angular momentum vectors in the scattering coordinate. It is found that
the conical intersection shows significant influence on the integral cross sections of the
reaction. The adiabatic effect also reduces the rotational polarization of the product
NaH.</p>},
issn = {2079-7346},
doi = {https://doi.org/10.4208/jams.021316.042016a},
url = {https://global-sci.com/article/74237/the-non-adiabatic-stereodynamics-study-for-the-reaction-of-na3sh-2nah-x1sh}
}