Exact factorization of the time-dependent electron-nuclear wave function.
نویسندگان
چکیده
We present an exact decomposition of the complete wave function for a system of nuclei and electrons evolving in a time-dependent external potential. We derive formally exact equations for the nuclear and electronic wave functions that lead to rigorous definitions of a time-dependent potential energy surface (TDPES) and a time-dependent geometric phase. For the H(2)(+) molecular ion exposed to a laser field, the TDPES proves to be a useful interpretive tool to identify different mechanisms of dissociation.
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ورودعنوان ژورنال:
- Physical review letters
دوره 105 12 شماره
صفحات -
تاریخ انتشار 2010