Optical Excitations in Nanostructures: Application of Time Dependent Density Functional Theory to Sin (n=3-10) Clusters
نویسندگان
چکیده
Determining excited state properties of atomic clusters is a challenging problem. In general, the ground state structural properties of clusters are unknown and not subject to direct experimental probes. Without knowledge of these properties, it is not possible to predict accurate optical excitations in clusters. Here we present a real-space-pseudopotential method to determine the structural properties of Sin clusters via simulated annealing and the corresponding optical properties from the time dependent local density approximation (TDLDA).
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