Towards a first-principles determination of effective Coulomb interactions in correlated electron ma...
Towards a first-principles determination of effective Coulomb interactions in correlated electron materials: Role of intershell interactions
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Ithaca: Cornell University Library, arXiv.org
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English
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Ithaca: Cornell University Library, arXiv.org
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Contents
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...
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Full title
Towards a first-principles determination of effective Coulomb interactions in correlated electron materials: Role of intershell interactions
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TN_cdi_proquest_journals_2076243002
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_journals_2076243002
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E-ISSN
2331-8422
DOI
10.48550/arxiv.1508.07466
