POLARIZABILITIES OF TRIPLY BONDED MOLECULES - THE 14-ELECTRON AND 26-ELECTRON SYSTEMS CN-, N-2, HCN, C2H2, C2N2, HC3N AND C4H2

Dipole moments and polarisabilities are calculated by correlated methods for a series of linear molecules containing NN, CN and CC triple bonds. A compact polarised basis gives near-Hartree-Fock anisotropic polarisabilities with largest component along the molecular axis and roughly additive behaviour with increasing chain length. Correlation corrections to the polarisability are insignificant for these systems. © 1990.