Structure and ionization potentials of clusters containing heavy elements

Abstract

Several structures of homonuclear clusters of heavy group V and group VI elements (As, Sb, Se, Te) have been investigated. In addition, mixed clusters of these atoms and alkali elements (Li through Cs) have been considered. In all cases, bond lengths, atomization energies and vertical ionization potentials have been determined in valence-only ab-initio calculations using energy-adjusted pseudopotentials. Comparison with experimental values is made where possible.