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arXiv 1404.3635physics.atom-phphysics.chem-ph
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He $^+$ + NO碰撞中电荷交换动力学的理论研究

Theoretical study of charge exchange dynamics in He$^+$ + NO collisions

E. Bene, M. -C. Bacchus-Montabonel

摘要:

我们研究的电荷转移机制中的氦离子对一氧化氮的碰撞使用的分子描述框架,考虑到朝向目标的弹丸的取向。碰撞过程的各向异性已被详细分析与周围避免交叉的非绝热相互作用。用量子化学从头算方法确定了势能曲线、径向和转动耦合矩阵元。碰撞动力学在[1.- 25.] keV的碰撞能量范围内使用半经典的方法,和总的电子转移截面进行了分析与现有的实验数据。

英文摘要:

We investigate the charge transfer mechanism in the collisions of helium ions on nitric oxide using a molecular description framework with consideration of the orientation of the projectile toward the target. The anisotropy of the collision process has been analysed in detail in connection with the non-adiabatic interactions around avoided crossings. Potential energy curves, radial and rotational coupling matrix elements have been determined by means of ab initio quantum chemical methods. The collision dynamics is performed in the [1.-25.] keV collision energy range using a semiclassical approach, and the total electron transfer cross sections are analysed with regard to available experimental data.

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