Time-dependent electron localization functions for coupled nuclear-electronic motion |
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Authors: | Erdmann M Gross E K U Engel V |
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Institution: | Institut für Physikalische Chemie, Universit?t Würzburg, Am Hubland, 97074 Würzburg, Germany. |
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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. |
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