A model hamiltonian tuned toward high level ab initio calculations to describe the character of excitonic states in perylenebisimide aggregates. - Wenlan Liu; Sofia Canola; Andreas Köhn; Bernd Engels; Fabrizia Negri; Reinhold F. Fink (J. Comput. Chem., 2018)

The Low Lying Double-Exciton State of Conjugated Diradicals: Assessment of TDUDFT and Spin-Flip TDDFT Predictions. - Sofia Canola; Yasi Dai; Fabrizia Negri (Comput., 2019)

Impact of Charge-Resonance Excitations on CT-Mediated J-Type Aggregation in Singlet and Triplet Exciton States of Perylene Di-Imide Aggregates: A TDDFT Investigation. - Yasi Dai; Maria Zubiria-Ulacia; David Casanova; Fabrizia Negri (Comput., 2022)