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 language | English (US) |
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Pages (from-to) | 2104-2107 |
Number of pages | 4 |
Journal | Physical review letters |
Volume | 75 |
Issue number | 11 |
DOIs | |
State | Published - 1995 |
Externally published | Yes |
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy