The GW space-time formalism at finite temperatures

ORAL

Abstract

We present the generalization of the space-time formulation of the GW approximation in many-body perturbation theory. The main changes are introduced in the treatment of the imaginary time and frequency dependency of the polarizability, screening, and self-energy. The discrete Matsubara frequencies and finite imaginary time intervals for integration are taken into account. Efficient fitting and interpolation schemes are developed to avoid a large increase in the grid sizes when going to metallic and finite-T systems.

Authors

  • Matthieu Verstraete

    Physics Dept University of York

  • Christoph Freysoldt

    Fritz-Haber Institut MPG Berlin Germany

  • Patrick Rinke

    Fritz-Haber Institut MPG Berlin Germany

  • Rex Godby

    Physics Dept University of York, University of York, University of York, U.K., and European Theoretical Spectroscopy Facility