Rapid Access to Ground- and Excited-State Properties of Gold Nanoclusters Coated with Organic Ligands: Evaluation of the DFTB Method Performance
K. Maghrebi, I. Chantrenne, S., T. Frauenheim, A. Fihey, and C. R. Lien-Medrano J. Phys. Chem. C 127 , 19675–19686 (2023) Gold nanoclusters stand as promising building blocks for solar energy harvesting