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.
No takes yet. Share an insight, caveat, or question.
Andersson et al. (1992) studied this question.
Synapse has enriched 3 closely related papers on similar clinical questions. Consider them for comparative context: