Abstract
The static dipole polarizabilities of , , and are studied using the many-body perturbation theory (MBPT) and coupled-cluster methods. The results indicate very large values for the anisotropies and large contributions of the electron correlation, especially of the higher-order single- and triple-excitation effects. At the highest level presently studied [QCISD(T)] the average polarizabilities are 430.5 a.u. (), 82.8 a.u. (), and 40.2 a.u. () with 40% to 50% coming from electron correlation effects. For the QCISD(T) value is 17.5 a.u., 3.4 a.u. below the fourth-order MBPT(4) result. The anisotropies are 339.3 a.u. () and 24.0 a.u. () with about 50% coming from electron correlation effects. An analysis of the correlation contribution to the average and anisotropic polarizabilities of the first-row stable atomic anions is made.
- Received 28 October 1993
DOI:https://doi.org/10.1103/PhysRevA.49.3515
©1994 American Physical Society