A fast impurity solver based on equations of motion and decoupling

Abstract

In this paper a fast impurity solver is proposed for dynamical mean field theory (DMFT) based on a decoupling of the equations of motion for the impurity Greens function. The resulting integral equations are solved efficiently with a method based on genetic algorithms. The Hubbard and periodic Anderson models are studied with this impurity solver. The method describes the Mott metal insulator transition and works for a large range of parameters at finite temperature on the real frequency axis. This makes it useful for the exploration of real materials in the framework of LDA+DMFT.

References in corpus (2)

• Ab initio electronic structure calculation of correlated systems: EMTO-DMFT approach
• Decoupling method for dynamical mean field theory calculations