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  • Title: Molecular geometry and polarizability of small cadmium selenide clusters from all-electron ab initio and Density Functional Theory calculations.
    Author: Karamanis P, Maroulis G, Pouchan C.
    Journal: J Chem Phys; 2006 Feb 21; 124(7):71101. PubMed ID: 16497022.
    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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