Linear-response theory within the density-functional formalism: Application to atomic polarizabilities

M. J. Stott and E. Zaremba
Phys. Rev. A 21, 12 – Published 1 January 1980; Erratum Phys. Rev. A 22, 2293 (1980)
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Abstract

The linear response of an arbitrary electronic system is considered within the framework of the density-functional theory. An integral equation determining the density induced by an external perturbation is derived. The independent-particle response function for an inhomogeneous system appearing in this equation is obtained in a form convenient for numerical calculations. The equation is applied to the calculation of dipole polarizabilities of spherically symmetric atoms and ions. Results for the rare-gas atoms obtained by means of the local-density approximation are in good agreement with experimental values, except for the case of He. Polarizabilities are also evaluated for the alkali-metal ions, the alkaline-earth and other closed-shell metallic atoms.

  • Received 25 June 1979

DOI:https://doi.org/10.1103/PhysRevA.21.12

©1980 American Physical Society

Erratum

Authors & Affiliations

M. J. Stott and E. Zaremba

  • Department of Physics, Queen's University, Kingston K7L 3N6, Canada

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Vol. 21, Iss. 1 — January 1980

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