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A Hybrid Meta On-Top Functional for Multiconfiguration Pair-Density Functional Theory

Electronic Structure - Methods

Publication Details

  • Authors: J. J. Bao, D. Zhang, S. Zhang, L. Gagliardi, and D. G. Truhlar
  • Publication Number: 492
  • Year: 2025
  • Journal: Proceedings of the National Academy of Sciences
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Full Citation

J. J. Bao, D. Zhang, S. Zhang, L. Gagliardi, and D. G. Truhlar, A Hybrid Meta On-Top Functional for Multiconfiguration Pair-Density Functional Theory, Proceedings of the National Academy of Sciences of the U. S. A., 2025, 122, article no. e2419413121. DOI: 10.1073/pnas.2419413121