Time-dependent electron localization functions for coupled nuclear-electronic motion

M. Erdmann, E. K.U. Gross, V. Engel*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

35 Scopus citations

Abstract

We study the quantum dynamics in a model system consisting of two electrons and a nucleus which move between two fixed ions in one dimension. The numerically determined wave functions allow for the calculation of time-dependent electron localization functions in the case of parallel spin and of the time-dependent antiparallel spin electron localization functions for antiparallel spin. With the help of these functions, it becomes possible to illustrate how electronic localization is modified through the vibrational wave-packet motion of the nucleus.

Original languageAmerican English
Pages (from-to)9666-9670
Number of pages5
JournalJournal of Chemical Physics
Volume121
Issue number19
DOIs
StatePublished - 15 Nov 2004
Externally publishedYes

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