Dynamical mean-field theory and electronic structure calculations

Abstract

We formulate the dynamical mean field theory directly in the continuum. For a given definition of the local Green's function, we show the existence of a unique functional, whose stationary point gives the physical local Green's function of the solid. We present the diagrammatic rules to calculate it perturbatively in the interaction. Approximations which may be used in the strong coupling regime, are constructed using mappings onto generalized quantum impurity models.