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physics.chem-ph2025
Mitigating error cancellation in density functional approximations via machine learning correction
Zipeng An, JingChun Wang, Yapeng Zhang +5
The integration of machine learning (ML) with density functional theory has emerged as a promising strategy to enhance the accuracy of density functional methods. While practical i…
physics.chem-ph2022★ 3 cited
Copula approach to exchange-correlation hole in many-electron systems with strong correlations
JingChun Wang, Yu Su, Haoyang Cheng +2
Electronic correlation is a fundamental topic in many-electron systems. To characterize this correlation, one may introduce the concept of exchange-correlation hole. In this paper,…