207 citations · 273 across the 3 of their papers we have counts for
3 papers
Dynamical mean-field theory using Wannier functions: a flexible route to electronic structure calculations of strongly correlated materials
F. Lechermann, A. Georges, A. Poteryaev +4
A versatile method for combining density functional theory (DFT) in the local density approximation (LDA) with dynamical mean-field theory (DMFT) is presented. Starting from a gene…
Maximally-localized Wannier Functions in Antiferromagnetic MnO within the FLAPW Formalism
Michel Posternak, Alfonso Baldereschi, Sandro Massidda +1
We have calculated the maximally-localized Wannier functions of MnO in its antiferromagnetic (AFM) rhombohedral unit cell, which contains two formula units. Electron Bloch function…
Non-Nominal Value of the Dynamical Effective Charge in Alkaline-Earth Oxides
M. Posternak, A. Baldereschi, H. Krakauer +1
We calculate ab-initio the electronic states and the Born dynamical charge Z* of the alkaline-earth oxides in the local-density approximation. We investigate the trend of increasin…