English

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 H2+H_2^+ molecular ion exposed to a laser field, the TDPES proves to be a useful interpretive tool to identify different mechanisms of dissociation.

Keywords

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

R2 v1 2026-06-21T15:35:44.851Z