Plasmon Pole Approximations within a GW Sternheimer implementation

ORAL

Abstract

We use an implementation of the GW approximation that exploits a Sternheimer equation and a Lanczos procedure to circumvent the resource intensive sum over all bands and inversion of the dielectric matrix. I will present further improvement of the method that uses Plasmon Pole approximations to evaluate the integral over all frequencies analytically. A comparison study between the von Linden-Horsh and Engel-Farid approaches for energy levels of various molecules along with benchmarking of the computational ressources needed by the method will be discussed.

Authors

  • vincent gosselin

    Univ of Montreal

  • Michel Côté

    Univ of Montreal