Exchange and Correlation Kernels at the Resonance Frequency: Implications for Excitation Energies in Density-Functional Theory

X. Gonze and M. Scheffler
Phys. Rev. Lett. 82, 4416 – Published 31 May 1999
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Abstract

Specific matrix elements of exchange and correlation kernels in time-dependent density-functional theory are computed. The knowledge of these matrix elements not only constrains approximate time-dependent functionals. It also allows one to link different practical approaches to excited states, based either on density-functional theory or on many-body perturbation theory, despite the approximations that have been performed to derive them.

  • Received 4 February 1999

DOI:https://doi.org/10.1103/PhysRevLett.82.4416

©1999 American Physical Society

Authors & Affiliations

X. Gonze1,2 and M. Scheffler1

  • 1Fritz-Haber-Institut der Max-Planck-Gesellshaft, Faradayweg 4-6, D-14195 Berlin-Dahlem, Germany
  • 2Unité PCPM, Université Catholique de Louvain, B-1348 Louvain-la-Neuve, Belgium

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Vol. 82, Iss. 22 — 31 May 1999

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