Dynamical mean field theory-based electronic structure calculations for correlated materials.
We give an introduction to dynamical mean field approaches to correlated materials. Starting from the concept of electronic correlation, we explain why a theoretical description of correlations in spectroscopic properties needs to go beyond the single-particle picture of band theory.We discuss the main ideas of dynamical mean field theory and its use within realistic electronic structure calculations, illustrated by examples of transition metals, transition metal oxides, and rare-earth compounds. Finally, we summarise recent progress on the calculation of effective Hubbard interactions and the description of dynamical screening effects in solids.
Centre de Physique Théorique, Ecole Polytechnique, CNRS UMR7644, Palaiseau, 91128, France, biermann@cpht.polytechnique.fr.
Silke
S
Biermann