Single electron ionization and electron capture cross sections for (C6+, H2O) interaction within the classical trajectory Monte Carlo (CTMC) approach

Abstract

In this work, we present a derivation of cross sections for single ionization and electron capture processes within the Classical Trajectory Monte Carlo (CTMC) approach. Specifically, we have used a potential stemming from an ab initio calculation in Green et al.'s framework to describe the dynamics of the water molecule system. Proposing a modified version of the Classical Over-Barrier (COB) potential, we have found that a cut-off of roughly 28 a.u. on the initial distance of the projectile produced a reasonable accuracy. A global agreement has been obtained in our calculations compared to experimental and other theoretical results for C6+ ion energies ranging from 10 keV/u to 10 MeV/u. © 2015 Elsevier B.V.

In this work, we present a derivation of cross sections for single ionization and electron capture processes within the Classical Trajectory Monte Carlo (CTMC) approach. Specifically, we have used a potential stemming from an ab initio calculation in Green et al.'s framework to describe the dynamics of the water molecule system. Proposing a modified version of the Classical Over-Barrier (COB) potential, we have found that a cut-off of roughly 28 a.u. on the initial distance of the projectile produced a reasonable accuracy. A global agreement has been obtained in our calculations compared to experimental and other theoretical results for C6+ ion energies ranging from 10 keV/u to 10 MeV/u.