Molecular Dynamics in Shape Space and Femtosecond Vibrational Spectroscopy of Metal Clusters
نویسندگان
چکیده
We introduce a method of molecular dynamics in shape space aimed at metal clusters. The ionic degrees of freedom are described via a dynamically deformable jellium with inertia parameters derived from an incompressible, irrotational flow. The shell correction method is used to calculate the electronic potential energy surface underlying the dynamics. Our finite-temperature simulations of Ag14 and its ions, following the negative-to-neutral-to-positive scheme, demonstrate the potential of pump-and-probe ultrashort laser pulses as a spectroscopy of cluster shape vibrations.
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