Cluster size effect on the electric polarizability and hyperpolarizability in small antimony clusters Sb n, n = 1, 2 and 4

Abstract

We have obtained static polarizabilities and hyperpolarizabilities for small antimony clusters Sb n , n = 1, 2 and 4, relying on high-level conventional ab initio and density-functional theory calculations with purpose-oriented basis sets. Our best values for the mean dipole polarizability and second dipole hyperpolarizability are α ¯ / e 2 a 0 2 E h - 1 = 42.55 ( Sb ) , 93.67 (Sb 2) and 206.09 (Sb 4) and 10 - 3 γ ¯ / e 4 a 0 4 E h - 3 = 11.4 ( Sb ) , 35.0 (Sb 2) and 120.5 (Sb 4). Our results show that, for both properties, the mean value per-atom increases with cluster size.