The equilibrium geometries of Na//n clusters are calculated by letting randomly generated clusters relax under the action of the Hellmann-Feynman forces. The authors find that clusters with five atoms or less have a planar structure whereas larger clusters have closely packed three-dimensional geometries. The claculated adiabatic ionization potentials are in good agreement with the experimental appearance potentials.
|Original language||English (US)|
|Number of pages||2|
|Journal||Berichte der Bunsengesellschaft/Physical Chemistry Chemical Physics|
|State||Published - Jan 1 1984|
All Science Journal Classification (ASJC) codes
- Chemical Engineering(all)