Molecular dynamics in shape space and femtosecond vibrational spectroscopy of metal clusters

Details Molecular dynamics in shape space and femtosecond vibrational spectroscopy of metal clusters Molecular dynamics in shape space and femtosecond vibrational spectroscopy of metal clusters

1998-06-06

arxiv.org/abs/cond-mat/9806089v1

J. Phys. Chem. A 102, 2505 (1998)

Physics

Condensed Matter

Latex/Revtex, 4 pages with 3 Postscript figures

Scientific paper

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 Ag_14 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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