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 language | English |
|---|---|
| Pages (from-to) | 9666-9670 |
| Number of pages | 5 |
| Journal | Journal of Chemical Physics |
| Volume | 121 |
| Issue number | 19 |
| DOIs | |
| State | Published - 15 Nov 2004 |
| Externally published | Yes |