The Gutzwiller Density Functional Theory

TL;DR

This paper introduces the Gutzwiller density functional theory, combining the Gutzwiller variational approach with density functional theory, and demonstrates its effectiveness on Hubbard models and iron-pnictide systems.

Contribution

It presents a comprehensive tutorial on merging Gutzwiller variational methods with density functional theory, expanding computational tools for correlated electron systems.

Findings

Effective modeling of two-band Hubbard systems

Application to realistic multi-band iron-pnictide Hamiltonians

Demonstrates advantages over traditional methods

Abstract

In this tutorial presentation, we give a comprehensive introduction into the Gutzwiller variational approach and its merger with the density functional theory. The merits of this method are illustrated by a discussion of results for two-band Hubbard models and realistic multi-band Hamiltonians for iron-pnictide systems.