First principles study of photoelectron spectra of cun- clusters

Carlo Massobrio, Alfredo Pasquarello, Roberto Car

Research output: Contribution to journalArticle

66 Scopus citations

Abstract

We have determined equilibrium geometries and electronic properties of neutral and anionic Cun (n=2,9) clusters by means of first principles calculations in which s and d electrons are treated on equal footing. We find that the calculated electronic density of states is inadequate to interpret photoelectron spectra of Cun- clusters. We obtain good agreement between calculated excitation energies and experimental spectra when we include final states effects.

Original languageEnglish (US)
Pages (from-to)2104-2107
Number of pages4
JournalPhysical review letters
Volume75
Issue number11
DOIs
StatePublished - Jan 1 1995
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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