<i>Ab initio</i>calculation of differential and total cross sections for the ionization of water vapor by protons

Abstract

We present both differential and total cross sections for the direct ionization of water vapor by protons in the incident energy range $0.1--100\phantom{\rule{0.3em}{0ex}}\mathrm{MeV}$. Different theoretical models are investigated within the framework of the Born approximation in order to evaluate the influence of each pairwise Coulomb interaction term among the ejected electron, the scattered proton, and the residual ionized target in the final state. In all these models, the ground state of the water molecule is described by means of an accurate molecular wave function proposed by Moccia [J. Chem. Phys. 40, 2186 (1964)]. The results of these full ab initio quantum-mechanical treatments are compared to experimental data. Good agreement is generally observed, showing that sophisticated Born models are sufficient to explain all the experimental data, including doubly differential, singly differential, and total cross sections.