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Single, Double Electronic Excitations and Exciton Effective Conjugation Lengths in π-Conjugated Systems
The 2(1)A(g) and 1(1)B(u) excited states of two prototypical π-conjugated compounds, polyacetylene and polydiacetylene, are investigated with the recently developed particle–particle random phase approximation (pp-RPA) method combined with the B3LYP functional. The polymer-limit transition energies...
Enregistré dans:
| Publié dans: | J Phys Chem Lett |
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| Auteurs principaux: | , , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
2018
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6205815/ https://ncbi.nlm.nih.gov/pubmed/29939751 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.8b01366 |
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