Monte Carlo Wavefunction Approach to Singlet Fission Dynamics of Molecular Aggregates

We have developed a Monte Carlo wavefunction (MCWF) approach to the singlet fission (SF) dynamics of linear aggregate models composed of monomers with weak diradical character. As an example, the SF dynamics for a pentacene dimer model is investigated by considering the intermolecular electronic cou...

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Dades bibliogràfiques
Publicat a:Molecules
Autors principals: Nakano, Masayoshi, Okada, Kenji, Nagami, Takanori, Tonami, Takayoshi, Kishi, Ryohei, Kitagawa, Yasutaka
Format: Artigo
Idioma:Inglês
Publicat: MDPI 2019
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Article
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC6384917/
https://ncbi.nlm.nih.gov/pubmed/30717244
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24030541
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