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Multiconfigurational Self-Consistent Field Theory with Density Matrix Embedding: The Localized Active Space Self-Consistent Field Method

Electronic Structure - Methods

Publication Details

  • Authors: M. R. Hermes and L. Gagliardi
  • Publication Number: 315
  • Year: 2019
  • Journal: J. Chem. Theory Comput.
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Full Citation

M. R. Hermes and L. Gagliardi, Multiconfigurational Self-Consistent Field Theory with Density Matrix Embedding: The Localized Active Space Self-Consistent Field Method, J. Chem. Theory Comput., 2019, 15, 972–986. DOI: 10.1021/acs.jctc.8b01009