UAM_Biblioteca

View Item 

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

Author
Illescas Rojas, Clara Matildeuntranslated; Lombana, M. A.; Méndez Ambrosio, Luisuntranslated; Rabadán Romero, Ismanueluntranslated; Suárez, Jaime
Entity
UAM. Departamento de Química
Publisher
Royal Society of Chemistry
Date
2020-08-14
Citation
Physical Chemistry Chemical Physics 22.35 (2020): 19573-19584
ISSN
1463-9076 (print); 1463-9084 (online)
DOI
10.1039/D0CP02839H
Funded by
This work has been partially supported by Ministerio de Economía and Competitividad (Spain), project no. FIS2017-84684-R
Project
Gobierno de España. FIS2017-84684-R
Editor's Version
https://doi.org/10.1039/D0CP02839H
Subjects
Molecular orbitals; Classical trajectory monte carlo; Electron production; Fragmentation branching ratios; Single electron capture; Single ionization; Transfer ionization; Química
URI
http://hdl.handle.net/10486/699802
Rights
© 2020 the Owner Societies

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
Show full item record

Files in this item

Thumbnail
Size
1.979Mb
Format
PDF

Google™ Scholar:Illescas Rojas, Clara Matilde - Lombana, M. A. - Méndez Ambrosio, Luis - Rabadán Romero, Ismanuel - Suárez, Jaime

This item appears in the following Collection(s)