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Abstract

Elemental clusters can be roughly defined as agglomerates of atoms subjected to such weak chemical forces that they are unstable under customary experimental conditions. Their existence can not be understood and explained using conventional valence concepts. Clusters are characterized by a large number of surface atoms and this represents a substantial difference with respect to crystals. Consequently, clusters are different from both molecules and solids, and for this reason can have very specific properties [1]. Due to the inherent instability of clusters general information about their fundamental properties have become available only recently using new experimental techniques which are in an expanding development. Therefore, the concepts and models useful in more classical fields of science like conventional chemistry of customary compounds or physics of solids have not such an evident validity in cluster science. Since a sufficient fundament of empirical knowledge about clusters is lacking, it is risky to use semiempirical or empirical theoretical methods which might be successful in organic and inorganic chemistry or in solid state theory. However, it is evident that these methods are very desirable, since the size of the interesting clusters is too large to be easily investigated using more sophisticated first principle quantum molecular theory. Also, the finite dimension of clusters represents a drawback for the applicability of typical solid state theories. Similarly, it is dangerous to take over simplified ideas from other fields of science in order to devise useful models in cluster science.

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Bonačič-Koutecký, V. et al. (1994). Theoretical Concepts. In: Haberland, H. (eds) Clusters of Atoms and Molecules. Springer Series in Chemical Physics, vol 52. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-84329-7_2

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