Applications of fully self-consistent GWΓ method for realistic materials.

ORAL

Abstract

In this talk I will show on a few examples that diagrammatic steps beyond GW approximation are manageable for realistic materials without the need to apply traditional simplifications such as local (on-site) approximation, or static (frequency independent) approximation for the effective interaction, or introduction of models with parametric description. The approach is based on self-consistent solving of Hedin’s equations with non-trivial vertex function. Different self-consistent diagrammatic extensions of GW method will be briefly introduced and the applications will be demonstrated using as examples the electron gas, a few metals, and a number of semiconductors/insulators.

*This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences as a part of the Computational Materials Science Program.

Presenters

  • Andrey Kutepov

    • CMPMSD, Brookhaven National Lab

Authors

  • Andrey Kutepov

    • CMPMSD, Brookhaven National Lab