First principles study of photoelectron spectra of Cu{sub {ital n}}{sup {minus}} clusters
Journal Article
·
· Physical Review Letters
- Institut de Physique Experimentale, Ecole Polytechnique Federale de Lausanne, PHB-Ecublens, CH-1015 Lausanne (Switzerland)
We have determined equilibrium geometries and electronic properties of neutral and anionic Cu{sub {ital n}} ({ital n}=2,9) clusters by means of first principles calculations in which {ital s} and {ital d} electrons are treated on equal footing. We find that the calculated electronic density of states is inadequate to interpret photoelectron spectra of Cu{sub {ital n}}{sup {minus}} clusters. We obtain good agreement between calculated excitation energies and experimental spectra when we include final states effects.
- OSTI ID:
- 239421
- Journal Information:
- Physical Review Letters, Vol. 75, Issue 11; Other Information: PBD: 11 Sep 1995
- Country of Publication:
- United States
- Language:
- English
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