AI 中文总结
本文针对0.1至2.5 eV碰撞能量下的重离子复复合反应，基于准经典轨迹方法研究其存在区域，提出混沌性定量度量与周围指数并探讨其关联。
AI 中文摘要
本文研究了碰撞能量为0.1至2.5 eV时的复复合反应RCs⁺ + Br⁻ → CsBr + R（R=Kr、Xe、Hg）。在准经典轨迹方法框架下，基于半经验 diabatic 势能面，我们在运动学参数空间中考虑了复合的存在区域。复合存在区域的二维“切片”（位于以离子复合物RCs⁺轴初始方向的取向角为坐标的球面上）有时呈现混沌结构。我们基于0-1矩阵的组合学提出了复合二维存在区域混沌性的定量度量，并给出了混沌区域的实例。我们引入了复合轨迹的周围指数，探讨了其与轨迹积分时间及产物分子CsBr总内能的关联。
英文摘要
In this paper, we examine transcomplex recombination RCs$^+$ + Br$^-$ $\to$ CsBr + R (R = Kr, Xe, Hg) for collision energies from 0.1 to 2.5 eV. Within the framework of the quasiclassical trajectory method on semiempirical diabatic potential energy surfaces, we have considered the existence regions for recombination in the space of kinematic parameters. Two-dimensional "slices" of the existence regions for recombination (on the sphere where the coordinates are the orientation angles of the initial direction of the axis of the ionic complex RCs$^+$) sometimes exhibit a chaotic structure. We have proposed a quantitative measure of chaoticity of two-dimensional existence regions for recombination (on the basis of the combinatorics of matrices of zeros and ones) and have presented examples of chaotic regions. We have introduced the surroundings index of recombinative trajectories and have explored its connection with the integration time of the trajectory and with the total internal energy of the product molecule CsBr.
Comments52 pages, 14 figures, a somewhat abridged version of the article was published in Russian Journal of Physical Chemistry B
Journal refRussian Journal of Physical Chemistry B, 2026, v. 20, no. 1, p. 8-25
