Multiple transition points in a semiclassical treatment of electronic transitions in atom(ion)‐diatom collisions
Multiple transition points in a semiclassical treatment of electronic transitions in atom(ion)‐diatom collisions
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原子（离子）-硅藻碰撞中电子跃迁半经典处理中的多个转变点
DOI：
10.1063/1.1681367
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发表时间：
1974
影响因子：
4.4
通讯作者：
Ying‐Wei Lin
中科院分区：
文献类型：
--
作者：
T. George;Ying‐Wei Lin
提出了原子（离子）-硅藻碰撞中电子跃迁多跃迁点的半经典处理方法。该疗法是基于W. H.米勒和T. F.乔治[J. Chem. Phys. 56，5637（1972）]涉及连接给定碰撞的初始状态和最终状态的路径积分的半经典评估。评估首先考虑的经典极限的电子传播，这是一个功能的时间发展的核自由度，然后经典极限的核路径积分包含电子传播。在电子传播子中的多个过渡点的处理类似于在多个障碍物上的运动问题。对于在时间上接近的过渡点，在计算电子传播子时必须引入一致近似。这是区别于另一个统一的近似，这可能是必要的核路径积分的评价。由此产生的f.
A semiclassical treatment of multiple transition points for electronic transitions in atom(ion)‐diatom collisions is presented. The treatment, based on a theory by W. H. Miller and T. F. George [J. Chem. Phys. 56, 5637 (1972)], involves the semiclassical evaluation of a path integral connecting the initial and final states of a given collision. The evaluation considers first the classical limit of an electronic propagator, which is a function of the time development of the nuclear degrees of freedom, and then the classical limit of a nuclear path integral containing the electronic propagator. The treatment of multiple transition points in the electronic propagator is presented in analogy with the problem of motion over multiple barriers. For transition points close in time a uniform approximation must be introduced in the evaluation of the electronic propagator. This is distinguished from another uniform approximation which might be necessary in the evaluation of the nuclear path integral. The resulting f...