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Spin-Scaled Range-Separated Double-Hybrid Density Functional Theory for Excited States
[Image: see text] Our recently presented range-separated (RS) double-hybrid (DH) time-dependent density functional approach [J. Chem. Theory Comput.17, 927 (2021)] is combined with spin-scaling techniques. The proposed spin-component-scaled (SCS) and scaled-opposite-spin (SOS) variants are thoroughl...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8280718/ https://www.ncbi.nlm.nih.gov/pubmed/34152771 http://dx.doi.org/10.1021/acs.jctc.1c00422 |