Theoretical multiple-ionization cross sections of Ne-like molecules by light-ion impact: H2 O

Abstract

We present a simple theoretical model to calculate multiple-ionization cross sections (MICS) of Ne and Ne-like molecules (molecules with ten electrons as H2O, CH4, NH3, and HF) for proton and light-ion impact, taking into account both direct and postcollisional emissions. In this paper, we tackle the case of water molecules, relevant to investigate the radiobiological effects of ion impact on living matter. The theory is developed in the framework of the independent electron model (IEM). To keep the model as simple as possible, we describe the impact parameter dependence of the single-particle ionization probabilities required by the IEM through decreasing exponential functions for each target orbital. We obtain the parameters of the exponential functions from the total net-ionization cross sections for each orbital by applying either the continuum distorted wave-eikonal initial-state (CDW-EIS) approximation or Rudd's model. We then calculate the contribution of Auger postcollisional electron emission to MICS by using the Ne postcollisional emission probabilities. This postcollisional treatment offers a very simple alternative to the much more complex molecular evaluation of postcollisional relaxation and provides results in close agreement with experimental data for proton and other light ions. We also demonstrate the relevance of considering postcollisional emission for water molecules after the 2a1 (2s Ne-like) orbital direct ionization.