Spectral Density Functional Approach to Electronic Correlations and Magnetism in Crystals [chapter]

A. I. Lichtenstein, M. I. Katsnelson, G. Kotliar
2002 Electron Correlations and Materials Properties 2  
A novel approach to electronic correlations and magnetism of crystals based on realistic electronic structure calculations is reviewed. In its simplest form it is a combination of the "local density approximation" (LDA) and the dynamical mean field theory (DMFT) approaches. Using numerically exact QMC solution to the effective DMFT multi-orbital quantum-impurity problem, a successful description of electronic structure and finite temperature magnetism of transition metals has been achieved. We
more » ... been achieved. We discuss a simplified perturbation LDA+DMFT scheme which combines the T-matrix and fluctuation-exchange approximation (TM-FLEX). We end with a discussion of cluster generalization of the non-local DMFT scheme and its applications to the magnetism and superconductivity of high-Tc superconductors.
doi:10.1007/978-1-4757-3760-8_4 fatcat:ffniicm37vhg7lr4thotv7fqb4