Abstract
We present the outline of the ab-initio molecular dynamics method for adiabatic excited states which is suitable to treat the involved excited electronic states simultaneously with the motion of the nuclei. The method allows the simulation of time-resolved pump-probe signals and the analysis of the signals in terms of the underlying nuclear dynamics. Moreover, the timescales of the structural relaxation in excited electronic states vs. intramolecular vibrational relaxation processes can be estimated and the influence of the initial temperature of the cluster can be determined.
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