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Optimization strategies developed on NiO for Heisenberg exchange coupling calculations using projector augmented wave based first-principles DFT+U+J

Fuente: arXiv

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Bibliographic Details
Main Authors:	MacEnulty, Lórien, O'Regan, David D.
Format:	Preprint
Published:	2023
Subjects:	Materials Science Other Condensed Matter Strongly Correlated Electrons Chemical Physics Computational Physics
Online Access:	Acceder al recurso
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