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Reducing Self-Interaction Error in Transition-Metal Oxides with Different Exact-Exchange Fractions for Energy and Density
Harshan Reddy Gopidi, Ruiqi Zhang, Yanyong Wang, A. K. Patra, Jianwei Sun, Adrienn Ruzsinszky, John P Perdew, Pieremanuele Canepa (2025). Reducing Self-Interaction Error in Transition-Metal Oxides with Different Exact-Exchange Fractions for Energy and Density. , DOI: https://doi.org/10.48550/arxiv.2506.20635.
Preprint32 days agoAdvances and Challenges of <scp>SCAN</scp> and <scp>r<sup>2</sup>SCAN</scp> Density Functionals in Transition‐Metal Compounds
Yubo Zhang, Akilan Ramasamy, Kanun Pokharel, Manish Kothakonda, Bing Xiao, James W. Furness, Jinliang Ning, Ruiqi Zhang, Jianwei Sun (2025). Advances and Challenges of <scp>SCAN</scp> and <scp>r<sup>2</sup>SCAN</scp> Density Functionals in Transition‐Metal Compounds. , 15(2), DOI: https://doi.org/10.1002/wcms.70007.
Article32 days ago