Photoabsorption in sodium clusters on the basis of time-dependent density-functional theory sodium clusters

J.-O. Joswig, L.O. Tunturivuori, R.M. Nieminen

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Abstract

The photoabsorption spectra of a continuous series of Nan clusters (n⩽14, n=20, n=40) have been calculated using a time-dependent density-functional scheme. Accordingly, we present these spectra and show that they are in very good agreement with other theoretically and experimentally obtained photoabsorption spectra. Furthermore, we discuss the influence of the cluster structure on the photoabsorption spectrum for some selected clusters and present for several cluster sizes photoabsorption spectra of different geometrical isomers. The spectra of clusters with five or more atoms are dominated by a few large peaks which can be interpreted as collective plasmon excitations.
Original languageEnglish
Article number014707
Pages (from-to)1-6
JournalJournal of Chemical Physics
Volume128
Issue number1
DOIs
Publication statusPublished - 2008
MoE publication typeA1 Journal article-refereed

Keywords

  • sodium clusters
  • time-dependent density-functional theory

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