title: Analog of Rabi oscillations in resonant electron-ion systems.
abstract: Quantum coherence between electron and ion dynamics, observed in organic semiconductors by means of ultrafast spectroscopy, is the object of recent theoretical and computational studies. To simulate this kind of quantum coherent dynamics, we have introduced in a previous article [L. Stella, M. Meister, A. J. Fisher, and A. P. Horsfield, J. Chem. Phys. 127, 214104 (2007)] an improved computational scheme based on Correlated Electron-Ion Dynamics (CEID). In this article, we provide a generalization of that scheme to model several ionic degrees of freedom and many-body electronic states. To illustrate the capability of this extended CEID, we study a model system which displays the electron-ion analog of the Rabi oscillations. Finally, we discuss convergence and scaling properties of the extended CEID along with its applicability to more realistic problems.
authors: Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom. lorenzo.stella@ehu.es
authors: Lorenzo
authors: L
authors: Stella
authors: Rafael P
authors: RP
authors: Miranda
authors: Andrew P
authors: AP
authors: Horsfield
authors: Andrew J
authors: AJ
authors: Fisher