论文标题
离子原子 - 原子三体重组:从冷到热状态
Ion-atom-atom three-body recombination: from the cold to the thermal regime
论文作者
论文摘要
我们介绍了一项有关在广泛的系统和碰撞能量范围从100 $ 〜μ $ k到10 $^5〜 $ K的范围内的离子原子反应A+a+a+b $^+$的研究,分析了两种可能的产物:分子和分子离子。该动力学是通过基于经典轨迹方法的直接三体形式主义进行的,在[J. J.化学物理。 $ \ textbf {140} $,044307(2014)]。我们的主要发现是,分子离子产物的解离能充当分隔低和高能状态的阈值。在低能量状态下,三体电位的远程尾巴决定了反应和主反应产物的命运。相反,在高能量状态下,原子原子和原子 - 离子相互作用电位的短距离主导了动力学,从而增强了低能量状态的分子形成。
We present a study on ion-atom-atom reaction A+A+B$^+$ in a wide range of systems and collision energies ranging from 100$~μ$K to 10$^5~$K, analyzing the two possible products: molecules and molecular ions. The dynamics is performed via a direct three-body formalism based on a classical trajectory method in hyperspherical coordinates developed in [J. Chem. Phys. $\textbf{140}$, 044307 (2014)]. Our chief finding is that the dissociation energy of the molecular ion product acts as a threshold energy separating the low and high energy regimes. In the low energy regime, the long-range tail of the three-body potential dictates the fate of the reaction and the main reaction product. On the contrary, in the high energy regime, the short-range of atom-atom and atom-ion interaction potential dominates the dynamics, enhancing molecular formation for the low energy regime.