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

The Journal of Chemical Physics
Jan-Ole JoswigRisto M Nieminen

Abstract

The photoabsorption spectra of a continuous series of Na(n) clusters (n<or=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.

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Citations

Feb 24, 2011·The Journal of Chemical Physics·S LecoultreW Harbich
Feb 24, 2011·The Journal of Chemical Physics·S LecoultreW Harbich
Oct 26, 2010·The Journal of Chemical Physics·George PalWolfgang Hübner
Sep 17, 2014·Physical Chemistry Chemical Physics : PCCP·Franck Rabilloud
Apr 24, 2021·Advanced Materials·Jihye LeeJong-Souk Yeo

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