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Tuning the Spin Component Scaling Scheme for Inverted Singlet-Triplet (INVEST) Systems: Improving CC2 and ADC(2) from Excited State Energies to Topological Features

2026-06-19

Abstract excerpt

<title>Abstract</title> <p> Inverted Singlet-Triplet (INVEST) materials, characterized by a negative singlet-triplet energy gap (ΔE <sub>ST</sub> ), hold great promise for next-generation OLED applications. However, their accurate computational description remains challenging, as conventional low-cost methods often fail to capture the subtle electron correlation effects governing the gap inversion. In this wor...

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Literature Corpus work: 62022119-1cca-5592-a381-65357d450614
DOI: 10.21203/rs.3.rs-9910733/v1

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Tuning the Spin Component Scaling Scheme for Inverted Singlet-Triplet (INVEST) Systems: Improving CC2 and ADC(2) from Excited State Energies to Topological FeaturesDOI 10.21203/rs.3.rs-9910733/v1Read

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