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Automatic State Interaction with Large Localized Active Spaces for Multimetallic Systems

Electronic Structure - Methods

Publication Details

  • Authors: V. Agarawal, D. S. King, M. R. Hermes, and L. Gagliardi
  • Publication Number: 476
  • Year: 2024
  • Journal: J. Chem. Theory Comput.

Full Citation

V. Agarawal, D. S. King, M. R. Hermes, and L. Gagliardi, Automatic State Interaction with Large Localized Active Spaces for Multimetallic Systems, J. Chem. Theory Comput., 2024, Article ASAP, DOI: 10.1021/acs.jctc.4c00376