Sergej Yu Savrasov

Model Hamiltonians and First Principles Electronic Structure Calculations

We review the basic ideas of the dynamical mean field theory (DMFT). Some of the remarkable insights into the electronic structure of strongly correlated electrons are introduced using the simplest model Hamiltonians. We then discuss the perspectives for carrying out more realistic DMFT studies of strongly correlated electron systems and we compare it with existent methods, LDA and LDA+U. We stress the existence of new functional for electronic structure calculations which allow us to treat situations where the single-particle description breaks down such as the vicinity of the Mott transition.