Time-dependent electron localization function

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dc.creatorBurnus, Tobias
dc.creatorMarques, Miguel A. L.
dc.creatorGross, Eberhard K. U.
dc.date2004-04-27
dc.date2005-01-12
dc.date.accessioned2026-07-07T05:51:46Z
dc.date.available2026-07-07T05:51:46Z
dc.descriptionIn this article we present a generalization of the electron localization function (ELF) that can be used to analyze time-dependent processes. The time-dependent ELF allows the time-resolved observation of the formation, the modulation, and the breaking of chemical bonds, and can thus provide a visual understanding of complex reactions involving the dynamics of excited electrons. We illustrate the usefulness of the time-dependent ELF by two examples: the pi-pi* transition induced by a laser field, and the destruction of bonds and formation of lone pairs in a scattering process.
dc.description4 pages, 3 figures; related information (including movies) can be found at http://www.physik.fu-berlin.de/~ag-gross/tdelf/
dc.identifierhttps://arxiv.org/abs/physics/0404126
dc.identifierhttp://arxiv.org/abs/physics/0404126
dc.identifierPhys. Rev. A 71, 010501(R) (2005)
dc.identifierdoi:10.1103/PhysRevA.71.010501
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/86099
dc.subjectChemical Physics
dc.subjectComputational Physics
dc.titleTime-dependent electron localization function
dc.typetext

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