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Coupled electronic and structural relaxation pathways in the postexcitation dynamics of Rydberg states of BaArN
A Masson1, M-C Heitz2, J-M Mestdagh1
1Laboratoire Francis Perrin, CNRS-URA 2453, CEA IRAMIS, Laboratoire Interactions, Dynamique et Lasers, F-91191 Gif-sur-Yvette Cedex, France.
Abstract:
We investigate, theoretically, the joint relaxation of orbital and structure in postexcitation dynamics of Rydberg states of cluster BaArN (N=250). Mixed quantum-classical dynamics is used to account for the nonadiabatic transitions among more than 160 electronic states, represented via a diatomics-in-molecules Hamiltonian. The simulation illustrates the complex multistep relaxation processes and provides detailed insight in the mechanisms contributing to the final-time experimental photoelectron spectrum.
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