Abstract
The systematic quantum-mechanical investigation of the stable geometries and some energetic characteristics of neutral silver clusters up to the hexamer is performed by the all-electron spin density approach with non-local corrections included. We compare these results with experimental data and with previous calculations on anionic silver clusters. We find that for the hexamer the ground-state geometry of the neutral cluster differs from the geometry of the anionic. For the neutral silver clusters Ag n the transition from a 2D conformation to a 3D occurs at n > 6. The size effects for the atomic fragmentation energy yield opposite alternations for neutral and anionic clusters.
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