Ab initio treatment of ion-water molecule collisions with a three-center pseudo potential
Entity
UAM. Departamento de QuímicaPublisher
IOP Publishing Ltd.Date
2012-12-11Citation
10.1088/1742-6596/388/10/102034
Journal of Physics: Conference Series 388 (2012): 102034
ISSN
1742-6588 (print); 1742-6596 (online)DOI
10.1088/1742-6596/388/10/102034Editor's Version
http://dx.doi.org/10.1088/1742-6596/388/10/102034Subjects
QuímicaRights
© Published under licence by IOP Publishing Ltd.Abstract
We calculate electron capture cross sections in collisions of protons with water molecules, using two simple ab initio approaches. The formalism involves the calculation of one-electron scattering wave functions and the use of three-center pseudo potential to represent the electron H2O+ interaction. Several methods to obtain many-electron cross sections are considered
Files in this item
Google Scholar:Martínez, P.
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Errea, L. F.
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Méndez Ambrosio, Luis
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Rabadán Romero, Ismanuel
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