EFFECTIVE BONDING PARAMETERS FOR THE PREDICTION OF ELECTRONIC-TRANSITION OF CDS CLUSTERS

The excited electronic states of CdS clusters as models of CdS ultrafi ne particles were studied by a semiempirical molecular orbital method. The bonding parameters used in the resonance integral evaluation were adjusted so that the values of the electron polpulation calculated ab initio and by the semiempirical molecular orbital method agree with e ach other. Improved bonding parameters are proposed using which, the e lectronic transition energies of CdS clusters were almost successfully predicted.