Alternative form of the linear-response contribution to the exchange-correlation energy functional

E. Engel
Phys. Rev. A 51, 1159 – Published 1 February 1995
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Abstract

The linear-response contribution to the exchange-correlation energy functional Exc[n] of density-functional theory is reconsidered. An alternative form for this functional is suggested that resolves the convergence problems for finite systems inherent in the original form introduced by Hohenberg and Kohn [Phys. Rev. 136B, 864 (1964)]. Within the exchange-only approximation in which the linear response kernel is known exactly and the optimized-potential model serves as a rigorous comparative standard, the present functional is applied to spherical atoms and jellium spheres. Self-consistent results for these systems indicate that this functional might be worth a more detailed examination.

  • Received 26 April 1994

DOI:https://doi.org/10.1103/PhysRevA.51.1159

©1995 American Physical Society

Authors & Affiliations

E. Engel

  • Institut für Theoretische Physik, Universität Frankfurt, Robert Mayer Strasse 8-10, 60054 Frankfurt am Main, Germany

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Vol. 51, Iss. 2 — February 1995

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