Electric dipole polarizabilities of atomic valence states
- 1 September 1992
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 46 (5) , 2356-2362
- https://doi.org/10.1103/physreva.46.2356
Abstract
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.Keywords
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