Issue 35, 2020
From the journal:

Physical Chemistry Chemical Physics

A classical and semiclassical study of collisions between Xq+ ions and water molecules

Clara Illescas, ORCID logo a   M. A. Lombana, ORCID logo a   L. Méndez, ORCID logo *a   I. Rabadán ORCID logo a  and  Jaime Suárez ORCID logo †a  

* Corresponding authors

a Laboratorio Asociado al CIEMAT de Física Atómica y Molecular en Plasmas de Fusión, Departamento de Química, módulo 13, Universidad Autónoma de Madrid, 28049-Madrid, Spain
E-mail: l.mendez@uam.es

Abstract

Collisions of He2+, Li3+ and C3+ ions with water molecules are studied at energies ranging between 20 keV u−1 and 500 keV u−1. Three methods are employed: the classical trajectory Monte Carlo (CTMC), the expansion of the scattering wave function in terms of asymptotic frozen molecular orbitals (AFMO) and a lattice method to numerically solve the time-dependent Schrödinger equation (GridTDSE). Total cross sections for single ionization, single electron capture, transfer ionization and electron production are calculated and compared with previous close-coupling calculations and experiments. The fragmentation branching ratios are discussed.

Graphical abstract: A classical and semiclassical study of collisions between Xq+ ions and water molecules

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Article information

DOI
https://doi.org/10.1039/D0CP02839H
Article type
Paper
Submitted
26 May 2020
Accepted
12 Aug 2020
First published
14 Aug 2020

Phys. Chem. Chem. Phys., 2020,22, 19573-19584

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A classical and semiclassical study of collisions between Xq+ ions and water molecules

C. Illescas, M. A. Lombana, L. Méndez, I. Rabadán and J. Suárez, Phys. Chem. Chem. Phys., 2020, 22, 19573 DOI: 10.1039/D0CP02839H

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