Monte Carlo Wavefunction Approach to Singlet Fission Dynamics of Molecular Aggregates

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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Bibliographic Details
Main Authors: Masayoshi Nakano, Kenji Okada, Takanori Nagami, Takayoshi Tonami, Ryohei Kishi, Yasutaka Kitagawa
Format: Article
Language:English
Published: MDPI AG 2019-02-01
Series:Molecules
Subjects:
Monte Carlo wavefunction
singlet fission
quantum master equation
molecular aggregate
Online Access:https://www.mdpi.com/1420-3049/24/3/541

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