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Time-dependent electron localization function

T. Burnus, M. Marques, E. Gross

Physical Review A, 71, 010501(R), (2005)

DOI: 10.1103/physreva.71.010501

Download: BibTEX

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 π−π* transition induced by a laser field, and the destruction of bonds and formation of lone pairs in a scattering process.

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{"type":"article", "name":"t.burnus20051", "author":"T. Burnus and M. Marques and E. Gross", "title":"Timedependent electron localization function", "journal":"Physical Review A", "volume":"71", "OPTnumber":"1", "OPTmonth":"1", "year":"2005", "OPTpages":"010501(R)", "OPTnote":"", "OPTkey":"", "DOI":"10.1103/physreva.71.010501"}
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