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research article
First Principles Study of Photoelectron-Spectra of Cu-N(-) Clusters
We have determined equilibrium geometries and electronic properties of neutral and anionic Cu-n (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 Cu-n(-) clusters. We obtain good agreement between calculated excitation energies and experimental spectra when we include final states effects.
Type
research article
Web of Science ID
WOS:A1995RT81000010
Authors
Publication date
1995
Published in
Volume
75
Issue
11
Start page
2104
End page
2107
Peer reviewed
REVIEWED
EPFL units
Available on Infoscience
October 8, 2009
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