Abstract
The splitting of the quartet excited states of Mn2+ doped in ZnS and ZnSe due to coupling with the normal E vibration of tetrahedral MnS4 and MnSe4 clusters is studied by semiempirical methods which neglect the differential overlap between atomic orbitals. Stable excited state geometries of the impurity centers are found only if (i) the second neighbor Zn ions are included in the treated clusters and (ii) the collective E vibration of all the atoms neighboring the central Mn ion is taken into account.
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