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Time-dependent electron localization function

Authors: T. Burnus, M.A.L. Marques, and E.K.U. Gross

Ref.: Phys. Rev. A (Rap. Comm.) 71, 10501 (2005)

Abstract: 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 {it 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.

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