The second-order perturbation method for single-state multireference wave functions generated in complete-active-space self-consistent-field (CASSCF) calculations has been employed for computing electric dipole polarizabilities of different valence-electronic states of the first- (C,N,O,F) and second-row (Si,P,S,Cl) atoms. The results of calculations with polarized basis functions provide a uniform set of accurate polarizability data for those systems. Also, atomic quadrupole moment values obtained by using the CASSCF method are presented.

• Received 27 March 1992

DOI:https://doi.org/10.1103/PhysRevA.46.2356