Berlin 2012 – scientific programme

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O: Fachverband Oberflächenphysik

O 39: Focussed session: Frontiers of electronic structure theory: Strong correlations from first principles III (jointly with TT)

O 39.11: Talk

Wednesday, March 28, 2012, 13:00–13:15, HE 101

Entanglement of electron-ion motion and decoherence in trans-polyacetylene oligomers — •Heiko Appel — {Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin

Describing decoherence and energy transfer, which is arising after optical excitation in coupled electron-ion systems, is central for the understanding of physical processes appearing in photosynthesis, vision, or in solar-cell applications. As prototypical system for these applications, we investigate in this work the coupled electron-ion dynamics in trans-polyacetylene oligomers which are described by Su-Schrieffer-Heeger Hamiltonians. By tracing the density operator of the combined quantum electron-ion system over either electronic or ionic coordinates, we quantify decoherence, energy transfer and the mutual entanglement in the system after optical excitation.