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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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Bibliographische Detailangaben
Hauptverfasser: Wong, Bryan M., Hsieh, Timothy H.
Format: Artigo
Sprache:Inglês
Veröffentlicht: American Chemical Society 2010
Online Zugang: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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