Ionization and electron capture in ion-molecule collisions: classical (CTMC) and semiclassical calculations

L F Errea; Clara Illescas; L Méndez; I Rabadán

doi:10.1016/j.apradiso.2013.01.021

Ionization and electron capture in ion-molecule collisions: classical (CTMC) and semiclassical calculations

Appl Radiat Isot. 2014 Jan:83 Pt B:86-90. doi: 10.1016/j.apradiso.2013.01.021. Epub 2013 Jan 20.

Authors

L F Errea¹, Clara Illescas, L Méndez, I Rabadán

Affiliation

¹ Laboratorio Asociado al CIEMAT de Física Atómica y Molecular en Plasmas de Fusión, Departamento de Química, módulo 13, Universidad Autónoma de Madrid, Cantoblanco E-28049 Madrid, Spain.

PMID: 23415105
DOI: 10.1016/j.apradiso.2013.01.021

Abstract

Total cross-sections for electron capture and electron production in proton collisions with N2, CO and H2O, are evaluated using a classical trajectory Monte Carlo treatment for collision energies between 30 and 3000 keV. A semiclassical close-coupling treatment has been also employed for proton collisions with H2O, to discuss the accuracy of the CTMC treatment. Singly differential cross-sections for electron production have been also evaluated. Total and differential cross are compared with experimental data.

Keywords: CO; Molecular ionization; N(2); Proton beams; Water molecules.