Ab initio calculation of charge transfer in proton collisions with N 2

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dc.contributor.author Rozsályi, E.
dc.contributor.author Errea, L. F.
dc.contributor.author Méndez, L.
dc.contributor.author Rabadán, I.
dc.contributor.other UAM. Departamento de Química es_ES
dc.date.accessioned 2015-11-02T16:55:35Z
dc.date.available 2015-11-02T16:55:35Z
dc.date.issued 2012-04-02
dc.identifier.citation Physics review A 85.4 (2012): 042701 en_US
dc.identifier.issn 1050-2947 (print) es_ES
dc.identifier.issn 1094-1622 (online) es_ES
dc.identifier.uri http://hdl.handle.net/10486/668721
dc.description.abstract Total and partial charge transfer cross sections are calculated in collisions of protons with the nitrogen molecule at energies between 0.1 and 10 keV. Ab initio potential energy curves and nonadiabatic couplings have been obtained for a number of N2 bond lengths using a multireference configuration interaction method. The influence of the anisotropy of the target molecule is investigated. Results are compared with previous experimental and theoretical data en_US
dc.description.sponsorship This work has been supported by the Project ENE2007- 62934 of the Ministerio de Ciencia e Innovación (Spain). Allocation of computational time at the CCC of the Universidad Autónoma de Madrid is gratefully acknowledged en_US
dc.format.extent 7 pág. es_ES
dc.format.mimetype application/pdf en
dc.language.iso eng en
dc.publisher American Physical Society en_US
dc.relation.ispartof Physical Review A - Atomic, Molecular, and Optical Physics en_US
dc.rights © 2012 American Physical Society en_US
dc.title Ab initio calculation of charge transfer in proton collisions with N 2 en_US
dc.type article en
dc.subject.eciencia Química es_ES
dc.relation.publisherversion http://dx.doi.org/10.1103/PhysRevA.85.042701 es_ES
dc.identifier.doi 10.1103/PhysRevA.85.042701 es_ES
dc.identifier.publicationfirstpage 042701 es_ES
dc.identifier.publicationissue 4 es_ES
dc.identifier.publicationlastpage 042701 es_ES
dc.identifier.publicationvolume 85 es_ES
dc.relation.projectID Gobierno de España. ENE2007- 62934 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion en
dc.rights.accessRights openAccess en

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