Classical-trajectory Monte Carlo calculations of differential electron emission in fast heavy-ion collisions with water molecules

Abstract

A classical description of electron emission differential ionization cross sections for highly-charged high-velocity ions ($\sim$ 10 a.u.) impinging on water molecules is presented. We investigate the validity of the classical statistical mechanics description of ionization ($\hslash =0$ limit of quantum mechanics) in different ranges of electron emission energy and solid angle, where mechanisms such as soft and binary collisions are expected to contribute. The classical-trajectory Monte Carlo method is employed to calculate doubly and singly differential cross sections for C${}^{6+}$, O${}^{8+}$ and Si${}^{13+}$ projectiles, and comparisons with Continuum Distorted Wave Eikonal Initial State theoretical results and with experimental data are presented. We implement a time-dependent screening effect in our model, in the spirit of mean-field theory to investigate its effect for highly charged projectiles. We also focus on the role of an accurate description of the molecular target by means of a three-center potential to show its effect on differential cross sections. Very good agreement with experiments is found at medium to high electron emission energies.

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