Comment on Phys. Rev. Lett.'s paper "All-Electron Self-Consistent GW Approximation: Application to Si, MnO, and NiO": band vs localized description of NiO
Abstract
Description
In contrary to authors of Phys. Rev. Lett. 93, 126406 (2004) claiming "the band picture to be a reasonable starting point for the description of the electronic structure of NiO, much better than the ligand-field picture", we argue that the many-electron CEF approach is physically adequate starting point for discussion of the electronic structure and magnetism of NiO.
2 pages
2 pages