New paper solves problems for computational treatment of BODIPY dyes

Our latest paper, published as a joint computational-experimental study with the Ritchie group at Monash University, solves a long-standing problem in computational chemistry: the accurate prediction of electronic excitations in BODIPY dyes. “Spin-scaled double hybrids with long-range correction solve the TD-DFT overestimation problem in BODIPY dyes: benchmarking and experimental validation”, RSC Advances 2025, 15, 22419-22431. DOI: 10.1039/D5RA01408Ed5ra01408e (open access)