Accurate dipole polarizabilities of small silicon clusters from ab initio and density functional theory calculations

G. Maroulis , Didier Bégué (1) , Claude Pouchan (1)

1 IPREM - Institut des sciences analytiques et de physico-chimie pour l'environnement et les materiaux

Dipole polarizabilities of small silicon clusters were discussed. Density functional theory calculations were performed. Results showed small effect of electron correlation for all studied clusters. Different polarizabilities are also found.

Domaines: Chimie théorique et/ou physique

G. Maroulis, Didier Bégué, Claude Pouchan. Accurate dipole polarizabilities of small silicon clusters from ab initio and density functional theory calculations. Journal of Chemical Physics, 2003, 119 (2), pp.794-797. ⟨10.1063/1.1576210⟩. ⟨hal-01598753⟩