Exact factorization of the time-dependent electron-nuclear wavefunction
Other Condensed Matter
2015-05-19 v2
Abstract
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 molecular ion exposed to a laser field, the TDPES proves to be a useful interpretive tool to identify different mechanisms of dissociation.
Cite
@article{arxiv.1006.2638,
title = {Exact factorization of the time-dependent electron-nuclear wavefunction},
author = {Ali Abedi and Neepa T. Maitra and E. K. U. Gross},
journal= {arXiv preprint arXiv:1006.2638},
year = {2015}
}
Comments
4 pages, 2 figures