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)