Ionization and Single and Double Electron Capture in Proton–Ar Collisions
Laboratorio Asociado al CIEMAT de Física Atómica y Molecular en Plasmas de Fusión, Departamento de Química, módulo 13, Universidad Autónoma de Madrid, 28049 Madrid , Spain
J. Phys. Chem. A, 2018, 122 (9), pp 2523–2534
DOI: 10.1021/acs.jpca.7b11769
Publication Date (Web): February 9, 2018
Copyright © 2018 American Chemical Society
*L. Méndez. E-mail: l.mendez@uam.es.
Note
This paper was published ASAP on February 22, 2018, with no labels for equations 45 to 49. The corrected version was published on February 23, 2018.
Special Issue
Published as part of The Journal of Physical Chemistry virtual special issue “Manuel Yáñez and Otilia Mó Festschrift”.
Abstract
Total cross sections for formation of H and H–, and electron production, in H+ + Ar collisions have been calculated at energies between 100 eV and 200 keV by employing two methods: for E < 10 keV, a semiclassical treatment with an expansion in a basis of electronic wave functions of the ArH+ quasimolecule and, for E > 10 keV, the switching-classical-trajectory-Monte Carlo method (s-CTMC). The semiclassical calculation involves transitions to molecular autoionizing states, calculated by applying a block-diagonalization technique. The s-CTMC method is adept to treat two-electron processes and yields total cross sections for H– formation in reasonably good agreement with the experimental data.
Cross sections for electron- and H-production processes, which are dominated by one-electron transitions, are in good agreement with the experimental data.
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