Ab initio many-body GW correlations in the electronic structure of LaNiO$_2$

We present an ab initio $GW$ self-energy calculation of the electronic structure of LaNiO$_2$. With respect to density-functional theory (DFT) the $GW$ band plot shows an important +2 eV shift of the La 4$f$ bands away from the Fermi level region, and a $-1.5$ eV shift of the O 2$p$ states which increases the charge-transfer ionic character. Unlike in cuprates, the $d$-like bands across the Fermi level and the Fermi surface topology are almost unaffected by correlations. We found only a small increase of the electron pocket at $\Gamma$ making it more resistant to hole doping and, more interestingly, an avoided band-crossing which is present in DFT-LDA at -1 eV. This feature can play a role in the mechanism for superconductivity under hole doping.