DIPOLE POLARIZABILITY AND HYPERPOLARIZABILITY OF FCN, CLCN, BRCN AND ICN

We have used very large Gaussian-type basis sets to obtain electric di pole polarizabilities and hyperpolarizabilities from finite-field many -body perturbation theory calculations for the cyanogen halides FCN, C lCN, BrCN and ICN. Our best values for the mean dipole polarizability alpha/e(2)a(0)(2)E(h)(-1) and the anisotropy Delta alpha/e(2)a(0)(2)E( h)(-1) are 18.51 and 10.77 (FCN), 30.80 and 22.21 (ClCN), 36.26 and 24 .42 (BrCN), 48.00 and 28.96 (ICN), For the mean second dipole hyperpol arizability 10(-3)gamma/e(4)a(0)(4)E(h)(-3) we obtained 1.96 (FCN), 4. 29 (ClCN), 6.0 (BrCN) and 11.0 (ICN).