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

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.

► Evaluation of cross-sections required for ion tracks simulation.
► Implementation of the CTMC method for ion-molecule collisions.
► CTMC cross-sections show very good agreement with the experimental results.
► Close coupling calculations support the validity of the CTMC treatment