| Summary: | We present a quantitative analysis of the theoretical spin density map of two ferromagnetic perovskites, YTiO<inline-formula><math display="inline"><semantics><msub><mrow></mrow><mn>3</mn></msub></semantics></math></inline-formula> and SrRuO<inline-formula><math display="inline"><semantics><msub><mrow></mrow><mn>3</mn></msub></semantics></math></inline-formula>. We calculated the spin density using the standard density functional theory (DFT)+U method, where the Hubbard U correction is applied to the Ti and Ru ions, and with the pseudo-hybrid ACBN0 method, where the Hubbard U parameters are determined self-consistently. The ACBN0 calculations yielded a large value of the Hubbard U of the oxygen <inline-formula><math display="inline"><semantics><mrow><mn>2</mn><mi>p</mi></mrow></semantics></math></inline-formula> orbitals. We also used the screened hybrid HSE06 functional, which is widely used to describe the electronic structure of oxides. We used the Quantum Theory of Atoms in Molecules (QTAIM) theory and integrated the spin density in the atomic basins instead of projecting on atomic orbitals. This way, our results can be compared to experimental reports as well as to other DFT calculations.
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