Isotropic and anisotropic static dipole polarizabilities of the first-row stable atomic anions

Sylvio Canuto, Marcos A. Castro, and Prasanta K. Mukherjee
Phys. Rev. A 49, 3515 – Published 1 May 1994
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Abstract

The static dipole polarizabilities of B, C, and O 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. (B), 82.8 a.u. (C), and 40.2 a.u. (O) with 40% to 50% coming from electron correlation effects. For F 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. (B) and 24.0 a.u. (O) 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

Authors & Affiliations

Sylvio Canuto, Marcos A. Castro, and Prasanta K. Mukherjee

  • Departamento de Física, Universidade Federal de Pernambuco, 50732-910 Recife, Pernambuco, Brazil
  • Instituto de Física, Universidade de São Paulo, Caixa Postal 20516, 01452-990 São Paulo, São Paulo, Brazil
  • Departamento de Física, Universidade Federal de Goiás, 74001-970 Goiânia, GO, Brazil
  • Department of Spectroscopy, Indian Association for the Cultivation of Science, Jadavpur, Calcutta-700 032, India

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Issue

Vol. 49, Iss. 5 — May 1994

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