Department of Physics, Carl v. Ossietzky University Oldenburg,
D-26111 Oldenburg, Germany
Structures and Stabilities of Clusters (n=1-11)
B. Diekmann, P. Borrmann, E.R. Hilf
Geometries and energies for clusters (n = 0, ..., 11)
have been calculated
using standard "ab initio" methods. Up to clusters with n = 6,
four different Pople basis sets (DZ, TZ, TZP) have been used in the
For larger cluster sizes, the calculations have been carried out with
one basis set (DZ) using the HF/CISD method.
We discuss here only the nice counterplay of polarisation effects between the
central ion and the adsorbed molecules, which naturally
governs both the geometric structure and the energy of the clusters.
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