R-matrix study of electron impact excitation and dissociation of CH+ ions
R-matrix study of electron impact excitation and dissociation of CH+ ions
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CH 离子电子碰撞激发和解离的 R 矩阵研究
DOI：
10.1088/1361-6455/aa8377
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发表时间：
2017
期刊：
影响因子：
--
通讯作者：
J. Tennyson
中科院分区：
文献类型：
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作者：
K. Chakrabarti;A. Dora;R. Ghosh;B. S. Choudhury;J. Tennyson
在R-矩阵方法的框架下，使用UK分子R-矩阵程序的双原子版本，研究了CH+离子的电子碰撞激发和电子碰撞解离。首先进行组态相互作用计算，得到CH+的最低八个单重态和三重态的势能曲线。然后进行散射计算，以产生振动分辨的电子激发到最低的三个束缚态，即a 3，A 1和B 3 −。电子碰撞解离截面是从假设所有电子激发以上的解离阈值的结果在解离。在CH+平衡键长为2.137 a0时，计算了CH+的束缚态以及e-CH+体系的Feshbach共振的共振位置和共振宽度。
Electron impact excitation and electron impact dissociation of CH+ ions are studied in the framework of the R-matrix method using the diatomic version of the UK molecular R-matrix codes. A configuration interaction calculation is first performed to yield the potential energy curves of the lowest eight singlet and triplet states of CH+. Scattering calculations are then performed to yield vibrationally-resolved electronic excitations to the lowest three bound states, namely the a 3 Π , A 1 Π and the b 3 Σ − . Electron impact dissociation cross sections are obtained from the assumption that all electronic excitations above the dissociation threshold result in dissociation. Bound states of CH and resonance positions and widths of Feshbach resonances in the e–CH+ system are also calculated at the CH+ equilibrium bond length 2.137 a0.