ArticleRSC advances2025
Spin-scaled double hybrids with long-range correction solve the TD-DFT overestimation problem in BODIPY dyes: benchmarking and experimental validation.
Article in RSC advances, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
1 citing paper in PubMed.
- Assessment of Double-Hybrid Functionals for the Vertical Excitation Energies of Porphyrins.Molecules (Basel, Switzerland) · 2026Article
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5 authors.
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Abstract
It has been established in the literature that time-dependent density functional theory (TD-DFT) methods systematically overestimate the electronic excitation energies in boron-dipyrromethene (BODIPY) dyes. Herein, we present the new SBYD31 benchmark set for BODIPY absorption energies and assess 28 different TD-DFT methods, most of which have not been tested on BODIPY dyes before. We show how functionals belonging to the class of recently developed spin-scaled double hybrids with long-range correction (
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