Time-dependent electron localization function

T. Burnus*, M. A.L. Marques, E. K.U. Gross

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

127 Scopus citations

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 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.

Original languageAmerican English
Article number010501
JournalPhysical Review A - Atomic, Molecular, and Optical Physics
Volume71
Issue number1
DOIs
StatePublished - 1 Jan 2005
Externally publishedYes

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