Molecular polarizability of Sc n , C n and endohedral Sc n @C m clusters

Abstract A method for the calculation of the molecular polarizability α using the interacting induced dipoles polarization model is presented. As an example, the method is applied to Scn, Cn and endohedral Scn@Cm clusters. The α are compared with reference calculations (PAPID). The Scn calculated using POLAR and Cn computed (POLAR and PAPID) are less polarizable than what is inferred. The Scn calculated (PAPID) are more polarizable than what is inferred. Previous experimental work yielded the opposite trend for Sin, GanAsm and GenTem larger clusters. However, previous theoretical work yielded the opposite trend for Sin, Gen and GanAsm small clusters.

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