Assessment of Density-Functional Tight-Binding Ionization Potentials and Electron Affinities of Molecules of Interest for Organic Solar Cells Against First-Principles GW Calculations. - Ala Aldin M. H. M. Darghouth; Mark E. Casida; Walid Taouali; Kamel Alimi; Mathias P. Ljungberg; Peter Koval; Daniel Sánchez-Portal; Dietrich Foerster (Comput., 2015)

Density-functional theory (DFT) and time-dependent DFT study of the chemical and physical origins of key photoproperties of end-group derivatives of a nonfullerene acceptor molecule for bulk heterojunction organic solar cells. - Walid Taouali; Kamel Alimi; Asma Sindhoo Nangraj; Mark E. Casida (J. Comput. Chem., 2023)