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Article Dans Une Revue Annalen der Physik Année : 2002

Semi-classical description of ionic and electronic dynamics in metal clusters

Résumé

We present a selfconsistent semi‐classical description of metal clusters with explicit ionic background. We show in particular how the flexibility of the Husimi picture allows a proper, self contained, description of ground state as well as dynamical properties of metal clusters. This leads to a coupled electrons + ions molecular dynamics, which may be followed over long times (typically one picosecond). We consider real time dynamics for electrons at a Vlasov‐LDA level and include dynamical correlations by an Ühling‐Uhlenbeck collision term (VUU). We discuss the effect of the Husimi representation on the electronic dynamics and the impact of a constant isotropic differential cross‐section in the UU collision term, as compared to a velocity dependent anisotropic differential cross section. Finally, we show that the VUU approach is capable of curing the artificial dissipation of an initial fermionic distribution function towards a classical Boltzmann equilibrium over long times.

Dates et versions

hal-03152907 , version 1 (25-02-2021)

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Eric Giglio, Eric Suraud, P.-G. Reinhard. Semi-classical description of ionic and electronic dynamics in metal clusters. Annalen der Physik, 2002, 11 (4), pp.291-308. ⟨10.1002/1521-3889(200204)11:4<291::AID-ANDP291>3.0.CO;2-A⟩. ⟨hal-03152907⟩
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