GREEN: Embedding Framework for Quantum Many-Body Simulations

ORAL

Abstract

We present the open-source software package GREEN. GREEN is a package for the simulation of molecular and solid quantum systems, including weak-coupling electronic structure and embedding systems, within the language of finite-temperature Green's functions. GREEN provides several applications, including those for performing fully self-consistent GW and second-order perturbation theory and self-enery embedding calculations for electronic structure problems. The talk will introduce the package, showcase applications and post-processing routines, and outline future plans.

*This work is supported by National Science Foundation Award number CSSI-2310582.

Presenters

  • SERGEI ISKAKOV

    • UNIVERSITY OF MICHIGAN
    • University of Michigan

Authors

  • SERGEI ISKAKOV

    • UNIVERSITY OF MICHIGAN
    • University of Michigan
  • Emanuel C Gull

    • University of Michigan