A classical and semiclassical study of collisions between Xq+ ions and water molecules
Entity
UAM. Departamento de QuímicaPublisher
Royal Society of ChemistryDate
2020-08-14Citation
10.1039/D0CP02839H
Physical Chemistry Chemical Physics 22.35 (2020): 19573-19584
ISSN
1463-9076 (print); 1463-9084 (online)DOI
10.1039/D0CP02839HFunded by
This work has been partially supported by Ministerio de Economía and Competitividad (Spain), project no. FIS2017-84684-RProject
Gobierno de España. FIS2017-84684-REditor's Version
https://doi.org/10.1039/D0CP02839HSubjects
Molecular orbitals; Classical trajectory monte carlo; Electron production; Fragmentation branching ratios; Single electron capture; Single ionization; Transfer ionization; QuímicaRights
© 2020 the Owner SocietiesAbstract
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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Google Scholar:Illescas Rojas, Clara Matilde
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Lombana, M. A.
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Méndez Ambrosio, Luis
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Rabadán Romero, Ismanuel
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Suárez, Jaime
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