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Volume 123, Issue 10, 08 September 2005
Electronic interaction anisotropy between open-shell lanthanide atoms and helium from cold collision experiment123(2005); http://dx.doi.org/10.1063/1.2052687View Description Hide Description
Based on measurements of the Zeeman relaxation in a cold gas of [C. I. Hancox, S. C. Doret, M. I. Hummon, L. Luo, and J. M. Doyle, Nature (London)431, 281 (2004)], we show that the electronic interactionanisotropy between rare-earth atoms with nonzero electronic orbital angular momenta and helium is extremely small. The interaction of the rare-earth atoms with He gives rise to several adiabatic potentials with different electronic symmetries. It is demonstrated that the energy splitting between these potentials does not exceed at interatomic distances larger than the turning point for collisions at , including the region of the van der Waals interaction minima.
123(2005); http://dx.doi.org/10.1063/1.2033727View Description Hide Description
We have studied the structures and stabilities of clusters at the density-functional level of theory. Unlike the case of , the clusters do not have an core electronically. Population analysis shows that a significant charge transfer occurs from the Alcluster to the I atoms, where the populations for vary from to . Moreover, the shape of moieties in the ( or 7) clusters is significantly distorted from the structure of , an icosahedron, and is a “cagelike” form, which can be explained by both electronic and steric reasons. Our theoretical results are in good agreement with the experimental observations of Bergeron et al. [Science307, 231 (2005)].