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Nonadiabatic effects in the nuclear probability and flux densities through the fractional Schrödinger equation

dc.creatorMedina L.Y.
dc.creatorNúñez-Zarur F.
dc.creatorPérez-Torres J.F.
dc.date2019
dc.date.accessioned2021-02-05T14:59:35Z
dc.date.available2021-02-05T14:59:35Z
dc.identifier.issn207608
dc.identifier.urihttp://hdl.handle.net/11407/6096
dc.descriptionNonadiabatic effects in the nuclear dynamics of the H 2 + molecular ion, initiated by ionization of the H 2 molecule, is studied by means of the probability and flux distribution functions arising from the space fractional Schrödinger equation. In order to solve the fractional Schrödinger eigenvalue equation, it is shown that the quantum Riesz fractional derivative operator fulfills the usual properties of the quantum momentum operator acting on the bra and ket vectors of the abstract Hilbert space. Then, the fractional Fourier grid Hamiltonian method is implemented and applied to molecular vibrations. The eigenenergies and eigenfunctions of the fractional Schrödinger equation describing the vibrational motion of the H 2 + and D 2 + molecules are analyzed. In particular, it is shown that the position-momentum Heisenberg's uncertainty relationship holds independently of the fractional Schrödinger equation. Finally, the probability and flux distributions are presented, demonstrating the applicability of the fractional Schrödinger equation for taking into account nonadiabatic effects. © 2019 Wiley Periodicals, Inc.
dc.language.isoeng
dc.publisherJohn Wiley and Sons Inc.
dc.relation.isversionofhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85064484900&doi=10.1002%2fqua.25952&partnerID=40&md5=5de1c1ba9780c5a24817aa5427682249
dc.sourceInternational Journal of Quantum Chemistry
dc.titleNonadiabatic effects in the nuclear probability and flux densities through the fractional Schrödinger equation
dc.typeArticleeng
dc.rights.accessrightsinfo:eu-repo/semantics/restrictedAccess
dc.identifier.doi10.1002/qua.25952
dc.publisher.facultyFacultad de Ciencias Básicasspa
dc.affiliationMedina, L.Y., Facultad de Ciencias Básicas, Universidad de Medellín, Medellín, Colombia
dc.affiliationNúñez-Zarur, F., Facultad de Ciencias Básicas, Universidad de Medellín, Medellín, Colombia
dc.affiliationPérez-Torres, J.F., Escuela de Química, Universidad Industrial de Santander, Bucaramanga, Colombia
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dc.type.versioninfo:eu-repo/semantics/publishedVersion
dc.type.driverinfo:eu-repo/semantics/article


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