Active Learning Configuration Interaction for Excited-State Calculations of Polycyclic Aromatic Hydrocarbons
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Full Citation
W. Jeong, C. A. Gaggioli, and L. Gagliardi, Active Learning Configuration Interaction for Excited-State Calculations of Polycyclic Aromatic Hydrocarbons, J. Chem. Theory Comput., 2021, 17, 17518–7530. DOI: 10.1021/acs.jctc.1c00769