Author： Igel-Mann G. Stoll H. Preuss H.
Publisher： Taylor & Francis Ltd
ISSN： 1362-3028
Source： Molecular Physics, Vol.80, Iss.2, 1993-10, pp. : 341-354
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Abstract
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 studied with valence ab initio self consistent field/configuration integration calculations using energy-adjusted pseudopotentials. Several structures have been investigated and results are given for bond lengths ( R e ), atomization energies ( D e ) and vertical ionization potentials of the ground states. Comparison with experimental and other theoretical values is made where possible, and differences from the corresponding group V clusters are discussed.
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