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Electronic and optical properties of silver clusters were calculated usingtwo different \textit{ab initio} approaches: 1) based on all-electronfull-potential linearized-augmented plane-wave method and 2) local basisfunction pseudopotential approach. Agreement is found between the two methodsfor small and intermediate sized clusters for which the former method islimited due to its all-electron formulation. The latter, due to non-periodicboundary conditions, is the more natural approach to simulate small clusters.The effect of cluster size is then explored using the local basis functionapproach. We find that as the cluster size increases, the electronic structureundergoes a transition from molecular behavior to nanoparticle behavior at acluster size of 140 atoms (diameter $\sim 1.7$\,nm). Above this cluster sizethe step-like electronic structure, evident as several features in theimaginary part of the polarizability of all clusters smaller thanAg$_\mathrm{147}$, gives way to a dominant plasmon peak localized atwavelengths 350\,nm$\le\lambda\le$ 600\,nm. It is, thus, at this length-scalethat the conduction electrons' collective oscillations that are responsible forplasmonic resonances begin to dominate the opto-electronic properties of silvernanoclusters.

Ab initio calculations of optical properties of silver clusters: Cross-over from molecular to nanoscale behavior