Multi-orbital Cluster Perturbation Theory for transition metal oxides

2013/06/21 by F. Manghi, Manghi, F.
Chemical Engineering · Chemistry · Earth and Planetary Sciences · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #Catalysis and Oxidation Reactions #FOS: Physical sciences #High-pressure geophysics and materials #Strongly Correlated Electrons (cond-mat.str-el) #cond-mat.str-el

paper · pdf · doi:10.48550/arxiv.1306.5231

arxiv created 2013/06/21 · openalex publication_date 2013/06/21 · arxiv updated 2013/06/25 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

We present an extension of Cluster Perturbation Theory to include many body correlations associated to local e-e repulsion in real materials. We show that this approach can describe the physics of complex correlated materials where different atomic species and different orbitals coexist. The prototypical case of MnO is considered.

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