Physics – Atomic and Molecular Clusters
Scientific paper
2001-08-30
Appl. Phys. B 73, 293 (2001)
Physics
Atomic and Molecular Clusters
6 pages, 3 figures. To appear in special issue of Applied Physics B, "Optical properties of Nanoparticles"
Scientific paper
10.1007/s003400100679
The question whether the linear absorption spectra of metal clusters can be interpreted as density oscillations (collective ``plasmons'') or can only be understood as transitions between distinct molecular states is still a matter of debate for clusters with only a few electrons. We calculate the photoabsorption spectra of Na2 and Na5+ comparing two different methods: quantum fluid-dynamics and time-dependent density functional theory. The changes in the electronic structure associated with particular excitations are visualized in ``snapshots'' via transition densities. Our analysis shows that even for the smallest clusters, the observed excitations can be interpreted as intuitively understandable density oscillations. For Na5+, the importance of self-interaction corrections to the adiabatic local density approximation is demonstrated.
Andrae K.
Kümmel Stephan
Reinhard Paul-Gerhard
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