A First Principles Scheme for Calculating the Electronic Structure of Strongly Correlated Materials: GW+DMFT

TL;DR

This paper introduces a first principles computational scheme that combines GW and DMFT methods to accurately model the electronic structure of strongly correlated materials without adjustable parameters.

Contribution

The paper presents a novel, parameter-free approach integrating GW and DMFT for better electronic structure calculations of correlated materials.

Findings

Successfully describes Coulomb interactions and screening effects

Avoids the conceptual issues of LDA+DMFT

Provides a detailed implementation framework

Abstract

We give a detailed description of a recently proposed first principles approach to the electronic structure of strongly correlated materials. The method combines the GW approximation with dynamical mean field theory. It is designed to describe Coulomb interactions and screening effects without adjustable parameters, thus avoiding the conceptual problems inherent to LDA+DMFT techniques.