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Main-group clusters ground state

Main experimental findings both for the ground state (magic numbers for the stability of clusters [3] and the existence of supershells [4]) and for excited states (the dominance of collective states in the photoabsorption of metal clusters MeA with N > S) were predicted [5] before their experimental confirmation. Recently we were able to explain the temperature dependence of the absorption of small metal clusters as observed by Haber-land s group [6]. If the model is complemented by pseudopotential perturbation theory [7] the results obtained match qualitatively those obtained by demanding quantum-chemical methods (e.g. the photoabsorption spectra of Na6). Further improvement of the model includes the removal of self-interaction effects, the so-called SIC [8-10] (a consequence of using the local density approximation (LDA) to general density functional theory (DFT)). [Pg.2]


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See also in sourсe #XX -- [ Pg.3 ]




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