首页> 外文期刊>International Journal of Quantum Chemistry >Single-electron-capture cross sections by alpha-particles from ground state K(4s) and Rb(5s): A molecular-state approach
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Single-electron-capture cross sections by alpha-particles from ground state K(4s) and Rb(5s): A molecular-state approach

机译:来自基态K(4s)和Rb(5s)的alpha粒子的单电子俘获截面:一种分子态方法

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摘要

Cross sections for single-electron capture by cr-particles from ground state K and Rb were calculated in the low-to-intermediate energy region by employing the molecular expansion method in the framework of impact parameter formulation. The colliding partners are treated as a pseudo-one-electron system and the technique of the pseudopotential is used to account for their mutual interactions. The molecular wave function of the quasimolecule formed during the collision is expanded in terms of basis sets of atomic orbitals on two centers. The resulting coupled equations are solved semiclassically where a straight-line trajectory describes the relative motion of the two nuclei. The effect of electron translation is also suitably incorporated. The calculated cross sections, both total and partial, are presented and compared with the available experimental measurements. (C) 1998 John Wiley & Sons, Inc. [References: 13]
机译:在冲击参数公式化的框架内,采用分子膨胀方法,在中低能级区域计算了Cr粒子从基态K和Rb捕获单电子的截面。碰撞的伙伴被当作伪一电子系统,伪电位技术被用来解释它们的相互作用。在碰撞过程中形成的准分子的分子波函数根据两个中心的原子轨道的基础集而扩展。生成的耦合方程是半经典求解的,其中直线轨迹描述了两个原子核的相对运动。也适当地结合了电子翻译的作用。显示了计算出的全部和部分横截面,并与可用的实验测量结果进行了比较。 (C)1998 John Wiley&Sons,Inc. [参考:13]

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