In this paper, we use the thermodynamically consistent and conserving self-energy embedding theory (SEET) to study the spectra of the prototypical undistorted cubic perovskites ${\mathrm{SrVO}}_3$ and ${\mathrm{SrMnO}}_3$. In the strongly correlated metallic ${\mathrm{SrVO}}_3$ we find that the usual attribution of the satellite peaks at –1.8 eV to Hund or Hubbard physics in the $t_{2g}$ orbitals is inconsistent with our calculations. In the strongly correlated insulator ${\mathrm{SrMnO}}_3$ we recover insulating behavior due to a feedback effect between the strongly correlated orbitals and the weakly correlated environment. Our calculation shows a systematic convergence of spectral features as the space of strongly correlated orbitals is enlarged, paving the way to a systematic parameter-free study of correlated perovskites.

• Received 23 October 2020
• Revised 22 April 2021
• Accepted 10 May 2021

DOI:https://doi.org/10.1103/PhysRevB.103.195149