Ab initio calculation of the exchange-correlation kernel in extended systems

Gianni Adragna, Rodolfo Del Sole, and Andrea Marini
Phys. Rev. B 68, 165108 – Published 29 October 2003
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Abstract

We develop a method to calculate the polarizability of a many-electron system within Green’s function theory in a similar way as within time-dependent density functional theory and apply it to Si and GaAs. The method joins the computational simplicity of the latter with the accuracy of the former approach. The resulting exchange-correlation many-body kernel fxcFQP and optical spectra are in good agreement with those obtained by the solution of the Bethe-Salpeter equation.

  • Received 14 February 2003

DOI:https://doi.org/10.1103/PhysRevB.68.165108

©2003 American Physical Society

Authors & Affiliations

Gianni Adragna1, Rodolfo Del Sole1, and Andrea Marini2

  • 1Istituto Nazionale per la Fisica della Materia e Dipartimento di Fisica dell’Università di Roma “Tor Vergata,” Via della Ricerca Scientifica, I-00133 Roma, Italy
  • 2Departamento de Física de Materiales, Universidad del Pais Vasco and Donostia International Physics Center, E-20018 San Sebastián, Basque Country, Spain

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Vol. 68, Iss. 16 — 15 October 2003

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