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

A method for the calculation of the molecular polarizability <(alpha)over b ar> using the interacting induced dipoles polarization model is presented. As an example, the method is applied to Sc-n, C-n and endohedral Sc-n @C-m clusters. The <(alpha)over bar> are compared with reference calculations (P APID). The Sc-n calculated using POLAR and C-n computed (POLAR and PAPID) a re less polarizable than what is inferred. The Sc-n calculated (PAPID) are more polarizable than what is inferred. Previous experimental work yielded the opposite trend for Si-n, GanAsm and GenTem larger clusters. However, pr evious theoretical work yielded the opposite trend for Si-n, Ge-n and GanAs m small clusters. (C) 2000 Elsevier Science B.V. All rights reserved.