R-matrix calculations of low-energy electron collisions with methane
R-matrix calculations of low-energy electron collisions with methane
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DOI：
10.1088/0953-4075/47/18/185203
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发表时间：
2014-09-28
影响因子：
1.6
通讯作者：
Plummer, Martin
中科院分区：
文献类型：
--
作者：
Brigg, Will J.;Tennyson, Jonathan;Plummer, Martin
采用一系列不同的从头计算模型，对电子与CH4在0.02 eV到15 eV能量范围内的碰撞进行了R矩阵计算。与电子结构计算中使用的标准多参考组态相互作用相似的靶模型给出了最好的结果。给出了弹性散射、转动激发、动量转移和电子碰撞解离的结果。并与前人的研究进行了广泛的比较。
R-matrix calculations are performed for electron collision with CH4 at energies between 0.02 and 15 eV using a series of different ab initio models for both the target and the full scattering system. A target model similar to the standard multi-reference configuration interaction used in electronic structure calculations is found to give the best results. Results are presented for elastic scattering, with particular emphasis on the Ramsauer-Townsend miminum, and for rotational excitation, momentum transfer and electron impact dissociation. Extensive comparisons are made with previous studies.