Literature DB >> 20867633

Exact factorization of the time-dependent electron-nuclear wave function.

Ali Abedi1, Neepa T Maitra, E K U Gross.   

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 H(2)(+) molecular ion exposed to a laser field, the TDPES proves to be a useful interpretive tool to identify different mechanisms of dissociation.

Year:  2010        PMID: 20867633     DOI: 10.1103/PhysRevLett.105.123002

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


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