Abstract
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 H2+ molecular ion exposed to a laser field, the TDPES proves to be a useful interpretive tool to identify different mechanisms of dissociation.
Original language | English |
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Article number | 123002 |
Journal | Physical Review Letters |
Volume | 105 |
Issue number | 12 |
DOIs | |
State | Published - 15 Sep 2010 |
Externally published | Yes |