R-matrix calculations are performed for electron collision with CH 4 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.
Quantemol-N is an expert system designed to run the widely used UK Molecular R-matrix code (UKRMol). Originally designed to consider electron-molecule collision problems, here we present an extension to treat molecular photoionization. Sample results are given for the photoionization of molecular nitrogen and methane. Comparisons are made with experimental results showing good agreement.
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