Many-body diagrammatic expansion for the exchange-correlation kernel in time-dependent density functional theory

I. V. Tokatly, R. Stubner, and O. Pankratov
Phys. Rev. B 65, 113107 – Published 27 February 2002
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Abstract

A diagrammatic expansion for the dynamic exchange-correlation kernel fxc of time-dependent density functional theory is formulated. It is shown that fxc has no singularities at Kohn-Sham transition energies in every order of the perturbation theory. However, it may diverge with the system size in extended systems. This signifies that any approximate perturbative substitute for fxc requires a consistent perturbative treatment of the response function to avoid uncontrollable errors in the many-body corrections to excitations energies.

  • Received 10 December 2001

DOI:https://doi.org/10.1103/PhysRevB.65.113107

©2002 American Physical Society

Authors & Affiliations

I. V. Tokatly*, R. Stubner, and O. Pankratov

  • Lehrstuhl für Theoretische Festkörperphysik, Universität Erlangen-Nürnberg, Staudtstr. 7/B2, 91058 Erlangen, Germany

  • *On leave from Moscow Institute of Electronic Technology, Zelenograd, 103498, Russia; Email address: ilya.tokatly@physik.uni-erlangen.de

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Vol. 65, Iss. 11 — 15 March 2002

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