Photoabsorption in sodium clusters on the basis of time-dependent density-functional theory
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© 2008 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the authors and the American Institute of Physics. The following article appeared in Journal of Chemical Physics, Volume 128, Issue 1 and may be found at http://scitation.aip.org/content/aip/journal/jcp/128/1/10.1063/1.2814161.
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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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en
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014707/1-6
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Journal of Chemical Physics, Volume 128, Issue 1
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.Description
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Joswig, Jan-Ole & Tunturivuori, Lasse O. & Nieminen, Risto M. 2008. Photoabsorption in sodium clusters on the basis of time-dependent density-functional theory. Journal of Chemical Physics. Volume 128, Issue 1. 014707/1-6. DOI: 10.1063/1.2814161.