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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.

Citations: 107 (Google scholar)

DOI: 10.1103/PhysRevA.71.010501

URL: arxiv.org

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Bibtex:

@article{Burnus_2005,
	doi = {10.1103/physreva.71.010501},
	url = {https://doi.org/10.1103%2Fphysreva.71.010501},
	year = 2005,
	month = {jan},
	publisher = {American Physical Society ({APS})},
	volume = {71},
	number = {1},
	author = {T. Burnus and M. A. L. Marques and E. K. U. Gross},
	title = {Time-dependent electron localization function},
	journal = {Physical Review A}
}