STRUCTURE AND IONIZATION-POTENTIALS OF CLUSTERS CONTAINING HEAVY-ELEMENTS .4. MIXED CLUSTERS OF ALKALI AND GROUP-VI ELEMENTS

In continuation of previous investigations on corresponding group V co mpounds, mixed clusters M(n)X(m) of alkali (M = Li, Na, K, Rb, Cs) and heavy group VI elements (X = Se, Te) up to n = 2 and m = 2 have been studied in valence ab initio SCF/CI calculations using energy-adjusted pseudopotentials. Additionally, NaTe3 has been considered. Several st ructures have been investigated and results are given for bond lengths , atomization energies and vertical ionization potentials of the groun d states. Comparison with experimental and other theoretical values is made where possible.