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research article

First Principles Study of Photoelectron-Spectra of Cu-N(-) Clusters

Massobrio, C.
•
Pasquarello, Alfredo  
•
Car, R.
1995
Physical Review Letters

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.

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Type
research article
DOI
10.1103/PhysRevLett.75.2104
Web of Science ID

WOS:A1995RT81000010

Author(s)
Massobrio, C.
Pasquarello, Alfredo  
Car, R.
Date Issued

1995

Published in
Physical Review Letters
Volume

75

Issue

11

Start page

2104

End page

2107

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
CSEA  
Available on Infoscience
October 8, 2009
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/43371
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