论文标题
量子隧道同位素交换反应H2 + D--> HD + H-
Quantum tunneling isotope exchange reaction H2 + D- -> HD + H-
论文作者
论文摘要
Endres {\ it等人},Phys,在低温(10、19和23〜K)的最新实验工作中研究了隧道反应H $ _2 $ _2 $ _2 $ _2 $ _2 $ _2 $ _2 $ _2 $ _2 $ _2 $ _2 $ _2 $ _2 $ _2 $ _2 $ _2 $ _2 $ _2 $ + $ \ $ \ $ \ $ \ $ \ $ \ $ hd + h $^ - $。修订版A {\ bf 95},022706(2017)。发现费率系数的上限约为10 $^{ - 18} $ cm $^3 $/s。在本研究中,使用Skouteris {\ it等人}开发的ABC程序确定反应概率。物理。社区。 {\ bf 133},128(2000)。 Ortho-H $ _2 $和Para-H $ _2 $的概率在其地面旋转状态下在50〜MEV以上的碰撞能量上获得数值,而总角动量$ J $ = 0-15,并使用WKB方法在50〜MEV以下进行外推。获得了矫正和para-h $ _2 $的热平均速率系数;对于Ortho-H $ _2 $,最大的一个约为$ 3.1 \ times10^{ - 20} $ cm $^3 $/s,这与实验结果一致。
The tunneling reaction H$_2$ + D$^-$ $\rightarrow$ HD + H$^-$ was studied in a recent experimental work at low temperatures (10, 19, and 23~K) by Endres {\it et al.}, Phys. Rev. A {\bf 95}, 022706 (2017). An upper limit of the rate coefficient was found to be about 10$^{-18}$ cm$^3$/s. In the present study, reaction probabilities are determined using the ABC program developed by Skouteris {\it et al.}, Comput. Phys. Commun. {\bf 133}, 128 (2000). The probabilities for ortho-H$_2$ and para-H$_2$ in their ground rovibrational states are obtained numerically at collision energies above 50~meV with the total angular momentum $J$ = 0 - 15 and extrapolated below 50~meV using a WKB approach. Thermally averaged rate coefficients for ortho- and para-H$_2$ are obtained; the largest one, for ortho-H$_2$ is about $3.1\times10^{-20}$ cm$^3$/s, which agrees with the experimental results.