首页> 外文期刊>International Journal of Molecular Sciences >Low-Energy Charge Transfer in Multiply-Charged Ion-Atom Collisions Studied with the Combined SCVB-MOCC  Approach
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Low-Energy Charge Transfer in Multiply-Charged Ion-Atom Collisions Studied with the Combined SCVB-MOCC  Approach

机译:用SCVB-MOCC组合方法研究多重充电离子原子碰撞中的低能电荷转移

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A survey of theoretical studies of charge transfer involving collisions of multiply-charged ions with atomic neutrals (H and He) is presented. The calculations utilized the quantum-mechanical molecular-orbital close-coupling (MOCC) approach where the requisite potential curves and coupling matrix elements have been obtained with the spin-coupled valence bond (SCVB) method. Comparison is made among vari-ous collision partners, for equicharged systems, where it is illustrated that even for total charge transfer cross sections, scaling-laws do not exist for low-energy collisions (i.e. 1 keV/amu). While various empirical scaling-laws are well known in the intermediate- and high-energy regimes, the multi-electron configurations of the projectile ions results in a rich and varied low-energy dependence, requiring an explicit calculation for each collision-partner pair. Future charge transfer problems to be addressed with the com-bined SCVB-MOCC approach are briefly discussed.
机译:提出了一种电荷转移的理论研究综述,涉及涉及多电荷离子与原子中性分子(H和He)的碰撞。计算使用了量子力学分子轨道紧密耦合(MOCC)方法,其中通过自旋耦合价键(SCVB)方法获得了必要的电位曲线和耦合矩阵元素。对于等电荷系统,在各种碰撞伙伴之间进行了比较,结果表明,即使对于总的电荷转移横截面,对于低能碰撞(即<1 keV / amu)也不存在定标律。尽管在中能和高能态下各种经验比例定律是众所周知的,但射弹离子的多电子构型导致丰富且变化的低能依赖性,因此需要对每个碰撞伴侣配对进行显式计算。简要讨论了结合SCVB-MOCC方法要解决的未来电荷转移问题。

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