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

Fuente: arXiv

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Bibliographic Details
Main Authors:	Lambert, Daniel S., O'Regan, David D.
Format:	Preprint
Published:	2021
Subjects:	Materials Science Strongly Correlated Electrons Chemical Physics Computational Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2111.08487