碰撞中的2p干涉子共振

C. Ballance, B. McLaughlin, O. Nagy, K. Berrington, P. Burke
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引用次数: 9

摘要

利用r矩阵方法对三态价态构型相互作用模型(VCI)进行了从头算电子散射计算。该分子氮阳离子的最低三个电子靶态(,和)都包含在紧密耦合方法中,每个状态都由价CI近似表示。通过对对称性共振结构的详细分析,我们发现了四个突出的Rydberg系列,类型为,,和一个闯入共振。这种与B态相关联的干扰分子共振被认为会引起所产生的共振光谱的畸变。我们对X - B跃迁的总截面进行了比较,结果与现有的实验数据非常吻合。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
The 2p interloper resonances in collisions
Ab initio electron scattering calculations using the R-matrix approach have been performed for within a three-state valence configuration-interaction model (VCI). The lowest three electronic target states (, and the ) of this molecular nitrogen cation are included in the close-coupling method, with each state being represented by a valence CI approximation. From a detailed analysis of the resonance structure found in our work for the symmetries we find four prominent Rydberg series of the type , , , and a interloper resonance. This interloper molecular resonance associated with the B state of is seen to cause distortions of the resulting resonance spectra. A comparison of our total cross sections for the X - B transition shows excellent agreement with the available experimental data.
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