R-matrix calculations of low-energy electron collisions with methane

被引:36
作者
Brigg, Will J. [1 ]
Tennyson, Jonathan [1 ]
Plummer, Martin [2 ]
机构
[1] UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England
[2] Sci Tech Daresbury, STFC Daresbury Lab, Dept Comp Sci, Warrington WA4 4AD, Cheshire, England
基金
英国工程与自然科学研究理事会;
关键词
elastic scattering; rotational excitation; electron impact dissociation; eigenphases; DIFFERENTIAL CROSS-SECTIONS; ROTATIONAL-EXCITATION; AB-INITIO; POLYATOMIC-MOLECULES; INTERMEDIATE ENERGIES; IMPACT DISSOCIATION; ELASTIC-SCATTERING; ION CHEMISTRY; CH4; RADICALS;
D O I
10.1088/0953-4075/47/18/185203
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
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.
引用
收藏
页数:11
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