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

TL;DR

This paper critiques a previous study on NiO's electronic structure, arguing that a many-electron crystal electric field approach is more physically appropriate than a band picture, impacting how NiO's properties are modeled.

Contribution

It challenges the band picture as a starting point for NiO, advocating for the many-electron crystal electric field approach as more physically justified.

Findings

Supports the many-electron CEF approach for NiO

Critiques the band picture as less appropriate

Emphasizes the importance of electron correlations in NiO

Abstract

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.