Cumulant expansion of the retarded one-electron Green function

J. J. Kas, J. J. Rehr, and L. Reining
Phys. Rev. B 90, 085112 – Published 11 August 2014

Abstract

The cumulant expansion is a powerful approach for including correlation effects in electronic structure calculations beyond the GW approximation. However, the expansion is not generally valid, as current implementations ignore terms that mix particle and hole states and lead to partial occupation numbers of one-electron states. These limitations are corrected here using a cumulant expansion of the retarded one-electron Green's function that includes both particle and hole contributions. The approach provides a consistent framework that improves on the GW approximation to the spectral function without additional computational effort. The method is illustrated with results for the homogeneous electron gas and comparisons to experiment and other methods.

  • Figure
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  • Received 31 January 2014
  • Revised 28 July 2014

DOI:https://doi.org/10.1103/PhysRevB.90.085112

©2014 American Physical Society

Authors & Affiliations

J. J. Kas1,*, J. J. Rehr1,2,†, and L. Reining2,3,‡

  • 1Department of Physics, University of Washington, Seattle, Washington 98195, USA
  • 2European Theoretical Spectroscopy Facility (ETSF)
  • 3Laboratoire des Solides Irradiés, École Polytechnique, CNRS, CEA-DSM, F-91128 Palaiseau, France

  • *joshua.j.kas@gmail.com
  • jjr@uw.edu
  • lucia.reining@polytechnique.fr

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Issue

Vol. 90, Iss. 8 — 15 August 2014

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