A fast impurity solver based on equations of motion and decoupling

Details A fast impurity solver based on equations of motion and decoupling A fast impurity solver based on equations of motion and decoupling

2009-03-27

arxiv.org/abs/0903.4838v2

Phys. Rev. B 79, 235112 (2009)

Physics

Condensed Matter

Strongly Correlated Electrons

Scientific paper

10.1103/PhysRevB.79.235112

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.

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