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

Abstract

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.

Cross Sections for Electron Collisions with NF3

“…The dissociation of the N-F in NF 3 is 2.52 eV 39,40 and no low-lying metastable electronicallyexcited states of NF 3 are known. It can therefore be assumed that all electronic excitation leads to dissociation; a similar assumption has been made in cases where the results are testable against experiment 41 and has been found to be reasonable. Both Rescigno and Hamilton et al made this assumption for NF 3 .…”

LXCat: an Open‐Access, Web‐Based Platform for Data Needed for Modeling Low Temperature Plasmas

“…Below the species that have been studied are listed; we note that in most cases the results have not been formally published. Species for which electron impact ionization data are provided include BF 3 [105] elastic total cross sections are also provided.…”

Uncertainty estimates for theoretical atomic and molecular data

“…For the ground state this series converges from below, provided enough states are included in the expansion. Experience [73,74] shows that (a) convergence to the correct value requires consideration of the continuum;…”