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dc.contributor.authorAlonso, J. L.
dc.contributor.authorClemente-Gallardo, Jesús
dc.contributor.authorCuchí Oterino, J. C.
dc.contributor.authorEchenique, Pablo
dc.contributor.authorFalceto, Fernando
dc.date.accessioned2013-04-02T07:42:28Z
dc.date.available2013-04-02T07:42:28Z
dc.date.issued2012
dc.identifier.issn0021-9606
dc.identifier.urihttp://hdl.handle.net/10459.1/46541
dc.description.abstractWe discuss the evolution of purity in mixed quantum/classical approaches to electronic nonadiabatic dynamics in the context of the Ehrenfest model. As it is impossible to exactly determine initial conditions for a realistic system, we choose to work in the statistical Ehrenfest formalism that we introduced in Alonso et al. [J. Phys. A: Math. Theor. 44, 396004 (2011)10.1088/1751-8113/44/39/395004]. From it, we develop a new framework to determine exactly the change in the purity of the quantum subsystem along with the evolution of a statistical Ehrenfest system. In a simple case, we verify how and to which extent Ehrenfest statistical dynamics makes a system with more than one classical trajectory, and an initial quantum pure state become a quantum mixed one. We prove this numerically showing how the evolution of purity depends on time, on the dimension of the quantum state space D, and on the number of classical trajectories N of the initial distribution. The results in this work open new perspectives for studying decoherence with Ehrenfest dynamics.ca_ES
dc.language.isoengca_ES
dc.publisherAmerican Institute of Physicsca_ES
dc.relation.isformatofReproducció del document publicat a: https://doi.org/10.1063/1.4737861ca_ES
dc.relation.ispartofJournal of Chemical Physics, 2012, vol. 137, núm. 5, p. 054106-1/13ca_ES
dc.rights(c) American Institute of Physics, 2012ca_ES
dc.subjectQuantum statistical mechanicsca_ES
dc.subjectSchrodinger equationca_ES
dc.subject.otherMecànica estadísticaca_ES
dc.subject.otherSchrödinger, Equació deca_ES
dc.titleEhrenfest dynamics is purity non-preserving: a necessary ingredient for decoherenceca_ES
dc.typearticleca_ES
dc.identifier.idgrec018082
dc.type.versionpublishedVersionca_ES
dc.rights.accessRightsinfo:eu-repo/semantics/openAccessca_ES
dc.identifier.doihttps://doi.org/10.1063/1.4737861


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