title: Structures and energetics of Be(n)Si(n) and Be(2n)Si(n) (n = 1-4) clusters.
abstract: The structures and energies of Be(n)Si(n) and Be(2n)Si(n) (n = 1-4) clusters have been examined in ab initio theoretical electronic structure calculations. Cluster geometries have been established in B3LYP/6-31G(2df) calculations and accurate relative energies determined by the G3XMP2 method. The two atoms readily bond to each other and to other atoms of their own kind. The result is a great variety of low-energy clusters in a variety of structural types.
authors.affiliation: Department of Sciences and Technology, Universidad Metropolitana, P. O. Box 21150, San Juan, Puerto Rico. binningrc@yahoo.com
authors.forename: R C
authors.initials: RC
authors.lastname: Binning
authors.forename: Daniel E
authors.initials: DE
authors.lastname: Bacelo