Physics – Condensed Matter – Materials Science
Scientific paper
2008-10-11
Physics
Condensed Matter
Materials Science
Scientific paper
The energetic ground state of gold clusters with up to 314 atoms consists of rather complicated geometries that have only a weak resemblance to the perfect icosahedra, decahedra and octahedra that are encountered for some magic numbers. The structure changes in most cases completely by the addition of a single atom. Other low energy structures are so close in energy that their Boltzmann weight is not negligible at room temperature.
Bao Kuo
Goedecker Stefan
Koga Kenji
Lancon Frederic
Neelov Alexey
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