Artículo de revista
Article Previous Article Next Article Table of Contents Ab Initio Molecular Dynamics Study of Small Alkali Metal Clusters
Fecha
2014Registro en:
J. Phys. Chem. A, 2014, 118 (6), pp 1077–1083
dx.doi.org/10.1021/jp4079025 | J. Phys. Chem. A 2014, 118, 1077−1083
Autor
Donoso Hederra, Rodrigo
Cárdenas, C.
Fuentealba Rosas, Patricio
Institución
Resumen
In this work, the dynamics of the clusters of the type M3 with M a metal
alkaline atom from Li to Cs have been studied. Other heteroatomic mixed clusters like
LiNaK and one bigger cluster, Na7, have also been studied. It was found that the
dynamics present interesting phenomena like pseudorotations and crossovers which
could explain the differences between experimental and theoretical values of some
electrical properties, like the electric dipole moment of alkali metal clusters.