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Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems

Electronic Structure - Methods

Publication Details

  • Authors: L. Gagliardi, D. G. Truhlar, G. Li Manni, R. K. Carlson, C.E. Hoyer, and J.L. Bao
  • Publication Number: 252
  • Year: 2017
  • Journal: Acc. Chem. Res.
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Full Citation

L. Gagliardi, D. G. Truhlar, G. Li Manni, R. K. Carlson, C.E. Hoyer, and J.L. Bao, Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems, Acc. Chem. Res., 2017, 50, 66–73. DOI: 10.1021/acs.accounts.6b00471