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Multireference Methods for Chemistry and Materials Science: Automated Active Spaces, Efficient Dynamic Correlation, and Extended Systems

Electronic Structure - Methods Machine Learning Photochemistry, Spectroscopy, Dynamics

Publication Details

  • Authors: J. J. Wardzala, M. R. Hennefarth, V. Agarawal, B. Jangid, A. Seal, M. R. Hermes, D. S. King, and L. Gagliardi
  • Publication Number: 519
  • Year: 2026
  • Journal: Chem. Rev.

Full Citation

J. J. Wardzala, M. R. Hennefarth, V. Agarawal, B. Jangid, A. Seal, M. R. Hermes, D. S. King, and L. Gagliardi, Multireference Methods for Chemistry and Materials Science: Automated Active Spaces, Efficient Dynamic Correlation, and Extended Systems, Chem. Rev., 2026. DOI: 10.1021/acs.chemrev.5c00866