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Optoelectronic and Excitonic Properties of Oligoacenes: Substantial Improvements from Range-Separated Time-Dependent Density Functional Theory
The optoelectronic and excitonic properties in a series of linear acenes (naphthalene up to heptacene) are investigated using range-separated methods within time-dependent density functional theory (TDDFT). In these rather simple systems, it is well-known that TDDFT methods using conventional hybrid...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2010
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3002181/ https://ncbi.nlm.nih.gov/pubmed/21170284 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct100529s |
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