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

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS(2014)

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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.
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关键词
elastic scattering,rotational excitation,electron impact dissociation,eigenphases
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