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Localized Active Space Pair-Density Functional Theory

Electronic Structure - Methods

Publication Details

  • Authors: R. Pandharkar, M. R. Hermes, C. J. Cramer, D. G. Truhlar, and L. Gagliardi
  • Publication Number: 391
  • Year: 2021
  • Journal: J. Chem. Theory Comput.
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Full Citation

R. Pandharkar, M. R. Hermes, C. J. Cramer, D. G. Truhlar, and L. Gagliardi, Localized Active Space Pair-Density Functional Theory, J. Chem. Theory Comput., 2021, 17, 2843–2851. DOI: 10.1021/acs.jctc.1c00067