Coupled-cluster calculation of hyperpolarizabilities and polarizabilities for Be

Ajit J. Thakkar
Phys. Rev. A 40, 1130 – Published 1 July 1989
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Abstract

The dipole-dipole-quadrupole (B) and second-dipole (γ) hyperpolarizabilities and the dipole (α1) and quadrupole (α2) polarizabilities are calculated for the ground state of the beryllium atom. The results are based on finite-field energies computed using the coupled-cluster double-excitation model (commonly known as CCD), corrected by fourth-order contributions from single and triple excitations computed with CCD amplitudes. The final values are α1 =37.30e2a02EH1, α2 =298.8e2a04EHr1, B=-2102e3a04EH2, and γ=3.15 ×104e4a04EH3.

  • Received 9 February 1989

DOI:https://doi.org/10.1103/PhysRevA.40.1130

©1989 American Physical Society

Authors & Affiliations

Ajit J. Thakkar

  • Department of Chemistry, University of New Brunswick, Fredericton, New Brunswick, Canada E3B 6E2

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Vol. 40, Iss. 2 — July 1989

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