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Density Matrix Embedding Using Multiconfiguration Pair-Density Functional Theory

Electronic Structure - Methods

Publication Details

  • Authors: A. Mitra, M. Hermes, and L. Gagliardi
  • Publication Number: 452
  • Year: 2023
  • Journal: J. Chem. Theory Comput.

Full Citation

A. Mitra, M. Hermes, and L. Gagliardi, Density Matrix Embedding Using Multiconfiguration Pair-Density Functional Theory, J. of Chem. Theory Comput., 2023, 19, 3498–3508, DOI: https://doi.org/10.1021/acs.jctc.3c00247