M. Helander

Large-Scale Quantum Computing Emulation for Accurate Triplet States of Ir(III) and Pt(II) Phosphorescent Emitters

Predicting the phosphorescent emission gaps of heavy-metal complexes is crucial for organic light-emitting diode materials design, yet challenged by the highly entangled nature of their triplet states. Traditional projective single-reference methods like coupled cluster break down for these systems due to severe spin c...