arxiv: 1006.2638 · v2 · pith:PDSYDNGKnew · submitted 2010-06-14 · ❄️ cond-mat.other

Exact factorization of the time-dependent electron-nuclear wavefunction

Ali Abedi , Neepa T. Maitra , E. K. U. Gross This is my paper

classification ❄️ cond-mat.other

keywords time-dependentexactpotentialtdpeswavefunctioncompletedecompositiondefinitions

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We present an exact decomposition of the complete wavefunction for a system of nuclei and electrons evolving in a time-dependent external potential. We derive formally exact equations for the nuclear and electronic wavefunctions 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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Exact factorization of the time-dependent electron-nuclear wavefunction

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