Matulis V.E., Palagin D.M., Mazheika A.S., Ivashkevich O.A.
DFT study of anionic copper clusters: comparison with silver and sodium ones.

Belarus / Белоруссия

Previously unknown structures of Cu11−13 have been assigned using recently developed S2LYP functional. The assigned structures have been compared with those of anionic silver and sodium clusters. It has been found that the most stable Cu11 and Cu12 clusters have very similar geometries to anionic silver and sodium ones. The structure of Cu13 cluster is considerably distorted in comparison with the structure of Na13.