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A classical and semiclassical study of collisions between X ions and water molecules.

作者信息

Illescas Clara, Lombana M A, Méndez L, Rabadán I, Suárez Jaime

机构信息

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.

出版信息

Phys Chem Chem Phys. 2020 Sep 21;22(35):19573-19584. doi: 10.1039/d0cp02839h. Epub 2020 Aug 27.

DOI:10.1039/d0cp02839h
PMID:32852017
Abstract

Collisions of He, Li and C ions with water molecules are studied at energies ranging between 20 keV u and 500 keV u. 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.

摘要

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