Calculations of ion-atom interactions relating to resonant charge-transfer collisions
Calculations of ion-atom interactions relating to resonant charge-transfer collisions
复制标题
与共振电荷转移碰撞相关的离子-原子相互作用的计算
DOI：
10.1103/physreva.11.1911
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发表时间：
1975
期刊：
影响因子：
--
通讯作者：
S. Sinha
中科院分区：
文献类型：
--
作者：
J. Bardsley;T. Holstein;B. R. Junker;S. Sinha
同一元素的原子和离子之间的相互作用导致双原子分子离子的分级和分级状态。能级和非能级之间的能量分裂决定了共振电荷转移的截面。使用JWKB方法，这些能量分裂是由孤立原子和离子的波函数的渐近形式导出的。本文报道了Li 2+、Na 2+、Rb 2+和Cs 2+分裂的赝势计算，并与之前的从头算和模型势计算一起用于验证JWKB方法。结果表明，该方法是可靠的，可以精确计算低能共振电荷转移的截面。
The interaction between an atom and ion of the same element leads to gerade and ungerade states of the diatomic molecular ion. The energy splittings between the gerade and ungerade states determine the cross section for resonant charge transfer. Using the JWKB approach these energy splittings are derived from the asymptotic forms of the wave functions for the isolated atom and ion. Pseudopotential calculations of the splittings are reported for Li 2+, Na 2+, Rb 2+, and Cs 2+, and are used together with previous ab initio and model-potential calculations to test the JWKB method. The comparison shows that the method is sufficiently reliable to facilitate accurate calculations of the cross sections for resonant charge transfer at low energies.