Electronic states of some semiconductor clusters

Potential surfaces and equilibrium geometries of InAs
2
, In
2
As, InAs
2
⁺
and In
2
As
⁺
were studied using the complete active space multi-configuration self consistent field (CASMCSCF) technique. Two electronic states, namely
²
B
2
and
²
B
1
were fround to prevail as the ground states for the InAs
2
and In
2
As trimers, respectively. The corresponding adiabaticionzation energies were computed and the leading configurations of the ground states were analyzed according to the wavefunctions.