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Updated: Dec 10, 2025

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
Published on: May 27, 2018
A classical and semiclassical study of collisions between Xq+ ions and water molecules
Clara Illescas1, M A Lombana, L Méndez
1Laboratorio Asociado al CIEMAT de Física Atómica y Molecular en Plasmas de Fusión, Departamento de Química, módulo 13, Universidad Autónoma de Madrid, 28049-Madrid, Spain. 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.
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