Photoabsorption In (CdS)_n Clusters On TheBasis of Time-dependent Density FunctionalTheory

摘要

We present the study of the optical properties of the small size (CdS)_n, n=1 to 4 clusters, using the plane wave based density functional formalism. Photoabsorption spectrum have been computed in a lower energy range using the time dependent Density Functional Theory, that uses time propagation method. The computed results are in good agreement with those obtained from another approach developed earlier known as Casida's formalism. Our results are reported for frequency range in which photoabsorption is prominent. The study can be useful for the future experimental investigations.