Nanoclusters are known as the bridging link between atoms and nanoparticles and hence is very interesting topic for computational study. Metal nanoclusters consist of a small number of atoms, can be composed either of a single or of multiple elements. These are typically less than 2 nm in diameter.  Such nanoclusters exhibit attractive electronic, optical,  and chemical properties compared to their larger nanoparticles. Materials can be categorized into three different regimes, namely bulk, nanoparticles or nanostructures and atomic clusters. Bulk metals are electrical conductors and good optical reflectors, while metal nanoparticles display intense colors due to surface plasmon resonance.[3][4] When the size of metal nanoclusters is further reduced, to 1nm or less, in other words to just a few atoms, the band structure becomes discontinuous and breaks down into discrete energy levels, somewhat similar to the energy levels of molecules.[3][4][5][6][7]