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Local Decomposition of Hybridization Functions: Chemical Insight into Correlated Molecular Adsorbates
Hybridization functions are an established tool for investigating the coupling between a correlated subsystem (often a single transition metal atom) and its uncorrelated environment (the substrate and any ligands present). The hybridization function can provide valuable insight into why and how strong correlation features such as the Kondo effect can be chemically controlled in certain molecular adsorbates. To deepen this insight, we introduce a local decomposition of the hybridizationdoi:10.26434/chemrxiv.13655435.v1 fatcat:emc2dzzy3rfyvcizzd4xl63qda