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23 April 2024
 
  » arxiv » physics/0108071

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Collectivity in the optical response of small metal clusters
S. Kümmel ; K.Andrae ; P.-G. Reinhard ;
Date 30 Aug 2001
Journal Appl. Phys. B 73, 293 (2001)
Subject Atomic and Molecular Clusters; Chemical Physics; Materials Science | physics.atm-clus cond-mat.mtrl-sci physics.chem-ph
AbstractThe 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.
Source arXiv, physics/0108071
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