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Semiclassical approach to metal cluster dynamics

E Giglio1, P-G Reinhard2,3 and E Suraud1,3

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LETTER TO THE EDITOR

We show that semiclassical methods provide a valid description for the electronic and ionic dynamical response of metal clusters in the regime of high excitation energies. We consider real time dynamics for electrons at a Vlasov-LDA level and include dynamical correlations by an Ühling-Uhlenbeck collision term. Coupling to ionic motion is explicitly accounted for by means of a pseudo potential. It is found that electron-electron collisions are more important than electron-ion collisions for determining the width of the plasmon response at high excitation energies. The coupling to true ionic motion yields non-adiabatic molecular dynamics which is validated on the picosecond time scale.


PACS

36.40.Cg Electronic and magnetic properties of clusters

34.50.Gb Electronic excitation and ionization of molecules

36.40.Sx Diffusion and dynamics of clusters

31.15.xg Semiclassical methods

31.15.E- Density-functional theory

36.40.Gk Plasma and collective effects in clusters

Subjects

Atomic and molecular physics

Computational physics

Dates

Issue 9 (14 May 2000)

Received 15 February 2000



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