High-performance strategies for the recent MRSF-TDDFT in GAMESS
Multiple ERI (Electron Repulsion Integral) tensor contractions (METC) with several matrices
are ubiquitous in quantum chemistry. In response theories, the contraction operation, rather …
are ubiquitous in quantum chemistry. In response theories, the contraction operation, rather …
[HTML][HTML] 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 …
received significant research interest owing to their potential use as emitters in high …