Vibrational and rotational energy transfer of CH+ in collisions with 4He and 3He
Vibrational and rotational energy transfer of CH+ in collisions with 4He and 3He
复制标题
CH 与 4He 和 3He 碰撞时的振动和旋转能量转移
DOI：
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发表时间：
2008
期刊：
影响因子：
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通讯作者：
A. Voronin
中科院分区：
文献类型：
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作者：
T. Stoecklin;A. Voronin
摘要：用量子力学方法研究了CH+与3 He和4 He原子冷碰撞和超冷碰撞中的振动和转动能量转移。在BCCD（T）水平上进行了从头算势能计算，并使用再生核希尔伯特空间（RKHS）方法获得了全局三维势能面。使用此表面的紧密耦合散射计算进行碰撞能量范围从10-6到2000 cm-1。在非常低的碰撞能量下
极限下，CH ~+与He碰撞的振动和转动猝灭截面为同一数量级。这一不寻常的结果是由于大的角各向异性的分子间的潜力和不寻常的小平衡值的Jacobi R坐标的He-CH+复杂。对于He-N ~（2+）碰撞，在很低的碰撞能量范围内也发现了很强的同位素效应，并从散射长度的角度分析了这两种碰撞的差异。
Abstract.A quantum mechanical investigation of vibrational and rotational energy transfer in cold and ultra cold collisions of CH+ with 3He and 4He atoms is presented. Ab initio potential energy calculations are carried out at the BCCD(T) level and a global 3D potential energy surface is obtained using the Reproducing Kernel Hilbert Space (RKHS) method. Close coupling scattering calculations using this surface are performed at collision energy ranging from 10-6 to 2000 cm-1. In the very low collision energy
limit, the vibrational and rotational quenching cross sections of CH+ in collisions with He are found to be of the same order of magnitude. This unusual result is attributed to the large angular anisotropy of the intermolecular potential and to the unusually small equilibrium value of the Jacobi R coordinate of the He–CH+ complex. As for the He–N2+ collision, we also find a strong isotope effect in the very low collision energy range which is analyzed in terms of scattering length and the differences between these two collisions are also discussed.