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Assessing Recent Time-Dependent Double-Hybrid Density Functionals on Doublet–Doublet Excitations
[Image: see text] This work is the first thorough investigation of time-dependent double-hybrid density functionals (DHDFs) for the calculation of doublet–doublet excitation energies. It sheds light on the current state-of-the-art techniques in the field and clarifies if there is still room for futu...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9955292/ https://www.ncbi.nlm.nih.gov/pubmed/36855692 http://dx.doi.org/10.1021/acsphyschemau.2c00014 |