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Localized Active Space State Interaction Singles

Electronic Structure - Methods

Publication Details

  • Authors: M. R. Hermes, B. Jangid, V. Agarawal, and L. Gagliardi
  • Publication Number: 502
  • Year: 2025
  • Journal: J. Chem. Theory Comput.
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Full Citation

M. R. Hermes, B. Jangid, V. Agarawal, and L. Gagliardi, Localized Active Space State Interaction Singles, J. Chem. Theory Comput., 2025, 21, 6446–6463. DOI: 10.1021/acs.jctc.5c00387