Accurate prediction of inverted singlet-triplet excited states using self-consistent spin-opposite perturbation theory

Nhan Tri Tran, Hoang Thanh Nguyen, Lan Nguyen Tran

The violation of Hund's rule, resulting in an inverted singlet-triplet (INVEST) gap, represents a paradigm shift in photophysics with major implications for OLED technology. INVEST…