Abstract
The time-resolved photoelectron spectra, probing the non-adiabatic dynamics of CaAr n clusters excited by a pump pulse in the vicinity of the 4s4p 1P line of calcium, are simulated. The simulations involve Diatomics-In-Molecules modelling of the excited electronic structure, excited states dynamics with electronic transitions, and classical approximations to derive the time-resolved photoelectron spectra. The oscillations in the time-dependence of the spectra, associated with the relative motion of calcium with respect to the argon cluster, and the corresponding nonadiabatic relaxation processes are analysed according to cluster size (n ≈ 55 and 147), structure (icosahedral versus cuboctahedral shape) and local environment (substitution versus surface deposition of calcium, surface type).
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