Reducing Self-Interaction Error in Transition-Metal Oxides with Different Exact-Exchange Fractions for Energy and Density

Fuente: arXiv
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Bibliographic Details
Main Authors: Gopidi, Harshan Reddy, Zhang, Ruiqi, Wang, Yanyong, Patra, Abhirup, Sun, Jianwei, Ruzsinszky, Adrienn, Perdew, John P., Canepa, Pieremanuele
Format: Preprint
Published: 2025
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