STRUCTURE AND IONIZATION-POTENTIALS OF CLUSTERS CONTAINING HEAVY-ELEMENTS .3. MIXED CLUSTERS OF ALKALI AND GROUP-V ELEMENTS

Mixed clusters M(n)X(m) of alkali (M = Li, Na, K, Rb, Cs) and heavy gr oup V elements (X = As, Sb) up to n = 2 and m = 4 have been studied by valence ab initio SCF/CI calculations using energy-adjusted pseudopot entials. Several structures have been investigated and results are giv en for bond lengths, atomization energies and vertical ionization pote ntials of the ground states. The influence of core-valence correlation is discussed. Comparison with experimental and other theoretical valu es is made where possible.