Can time-dependent double hybrid density functionals accurately predict electronic excitation energies of BODIPY compounds?
Wissam Helal, Qabas Alkhatib, Mohammed Gharaibeh
Topics & Concepts
ExcitationChemistryWave functionChromophoreRange (aeronautics)BODIPYConsistency (knowledge bases)Atomic physicsMolecular physicsComputational physicsFluorescencePhysicsMaterials scienceOpticsQuantum mechanicsMathematicsGeometryOrganic chemistryComposite materialLuminescence and Fluorescent MaterialsPorphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer Studies