Pavlyukh Y., Berakdar J., and Hübner

The electronic properties of a Na₉⁺ cluster are markedly changed when deposited on a Cu(001) surface. Particularly, the lifetime of the (hybridized) single-particle electronic states are drastically enhanced indicating a change in electronic correlations upon absorption. To capture this effect, we developed a Green's function approach based on the configuration interaction technique. The calculated lifetimes (16.5 to 33 fs) of excited electronic states are in line with experimental observations. Our new method demonstrates the feasibility of accounting accurately for electronic correlation in large, nonperiodic systems.

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