Abstract
The contribution of quantum chemicalab — initio studies of optical response in small metal clusters towards understanding of their specific electronic and structural properties has been presented. The role of cluster size, geometry, number of valence electrons and chemical composition has been pointed out. It has been shown that an appropriate many-electron description of excited states for stable cluster structures allows for the quantum molecular interpretation of the absorption spectra and other optical probles. The nature of excitations responsible for characteristic spectroscopic patterns has been discussed.
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Bonačić-Koutecký, V., Fantucci, P., Fuchs, C. et al. Nature of excitations in small alkali metal and other mixed clusters. Z Phys D - Atoms, Molecules and Clusters 26, 17–22 (1993). https://doi.org/10.1007/BF01429098
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DOI: https://doi.org/10.1007/BF01429098