Dynamical Mean Field Theory and Electronic Structure Calculations

Preprint

4 November 1999

preprint
Published by arXiv in arXiv

https://doi.org/10.48550/arXiv.cond-mat/9911056

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. Inspired by the success of dynamical mean field calculations for model Hamiltonian systems, we present approximations to the exact saddle point equations which may be used in the strong coupling regime, by using mappings onto generalized quantum impurity models.

Keywords

STRUCTURE CALCULATIONS
ELECTRONIC STRUCTURE
DYNAMICAL MEAN FIELD
MEAN FIELD THEORY
GREEN'S FUNCTION
THEORY DIRECTLY
LOCAL GREEN'S

All Related Versions

Version 1, 1999-11-04, ArXiv
Published version: Physical Review B, 62 (19), 12715.

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