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Molecular geometry and polarizability of small cadmium selenide clusters from all-electron ab initio and Density
Panaghiotis Karamanis1, George Maroulis, Claude Pouchan
1Department of Chemistry, University of Patras, Greece.
Abstract:
We have calculated molecular geometries and electric polarizabilities for small cadmium selenide clusters. Our calculations were performed with conventional ab initio and density functional theory methods and Gaussian-type basis sets especially designed for (CdSe)(n). We find that the dipole polarizability per atom converges rapidly to the bulk value.
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