MRSF-TDDFT

Towards the accurate simulation of multi-resonance emitters using mixed-reference spin-flip time-dependent density functional theory

Towards the accurate simulation of multi-resonance emitters using mixed-reference spin-flip time-dependent density functional theory

Abstract: Multi-resonant Thermally Activated Delayed Fluorescent (MR-TADF) materials have received significant research interest owing to their potential use as emitters in high-performance Organic Light Emitting Diodes (OLEDs).

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