Microscopic theory of vibronic dynamics in linear polyenes

Details Microscopic theory of vibronic dynamics in linear polyenes Microscopic theory of vibronic dynamics in linear polyenes

2002-05-03

arxiv.org/abs/cond-mat/0205062v1

Physics

Condensed Matter

Strongly Correlated Electrons

3 figures, other comments

Scientific paper

10.1103/PhysRevB.67.134307

We propose a novel approach to calculate dynamical processes at ultrafast time scale in molecules in which vibrational and electronic motions are strongly mixed. The relevant electronic orbitals and their interactions are described by a Hubbard model, while electron-phonon interaction terms account for the bond length dependence of the hopping and the change in ionic radii with valence charge. The latter term plays a crucial role in the non-adiabatic internal conversion process of the molecule. The time resolved photoelectron spectra are in good qualitative agreement with experiments.

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