G. Igelmann et al., STRUCTURE AND IONIZATION-POTENTIALS OF CLUSTERS CONTAINING HEAVY-ELEMENTS .2. HOMONUCLEAR GROUP-VI CLUSTERS UP TO HEXAMERS, Molecular physics, 80(2), 1993, pp. 341-354
As in earlier investigations on group V clusters, homonuclear clusters
X(m) of heavy group VI atoms (X = Se, Te) up to m = 6 have been studi
ed with valence ab initio self consistent field/configuration integrat
ion calculations using energy-adjusted pseudopotentials. Several struc
tures have been investigated and results are given for bond lengths (R
(e)), atomization energies (D(e)) and vertical ionization potentials o
f the ground states. Comparison with experimental and other theoretica
l values is made where possible, and differences from the correspondin
g group V clusters are discussed.