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DFT+U+J with linear response parameters predicts non-magnetic oxide band gaps with hybrid-functional accuracy

Fuente: arXiv

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Dettagli Bibliografici
Autori principali:	Lambert, Daniel S., O'Regan, David D.
Natura:	Preprint
Pubblicazione:	2021
Soggetti:	Materials Science Strongly Correlated Electrons Chemical Physics Computational Physics
Accesso online:	Acceder al recurso
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