Anisotropic polarizabilities and hyperpolarizabilities of second-period cations

Accurate static dipole polarizabilities and hyperpolarizabilities are calculated for the ground states of the boron, carbon, nitrogen, oxygen, fluorine and neon cations. Anisotropies are reported for the P-state cations. The computations are based on a finite-field procedure using energies computed with [10s7p7d6f] basis sets of contracted Gaussian-type functions (GTF) and the CCSD(T) method, that is the coupled-cluster (CC) method in the space of single and double substitutions corrected noniteratively for the effects of triple substitutions. These are the first electron-correlated anisotropic polarizabilities and hyperpolarizabilities reported to date for all but one of these cations. (C) 2001 Elsevier Science B.V. All rights reserved.