Matches in SemOpenAlex for { <https://semopenalex.org/work/W2240273670> ?p ?o ?g. }
- W2240273670 abstract "The determination of the effective Coulomb interactions to be used in low-energy Hamiltonians for materials with strong electronic correlations remains one of the bottlenecks for parameter-free electronic structure calculations. We propose and benchmark a scheme for determining the effective local Coulomb interactions for charge-transfer oxides and related compounds. Intershell interactions between electrons in the correlated shell and ligand orbitals are taken into account in an effective manner, leading to a reduction of the effective local interactions on the correlated shell. Our scheme resolves inconsistencies in the determination of effective interactions as obtained by standard methods for a wide range of materials, and allows for a conceptual understanding of the relation of cluster model and dynamical mean field-based electronic structure calculations." @default.
- W2240273670 created "2016-06-24" @default.
- W2240273670 creator A5017604847 @default.
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- W2240273670 creator A5072410426 @default.
- W2240273670 date "2017-08-04" @default.
- W2240273670 modified "2023-10-16" @default.
- W2240273670 title "Towards a First-Principles Determination of Effective Coulomb Interactions in Correlated Electron Materials: Role of Intershell Interactions" @default.
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