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Breakdown of the Perturbative Approach to Molecular Packing Dependence of Singlet Fission Rates in Pentacene Dimer Models: A Systematic Comparison with the Quantum Master Equation Approach

Kenji Okada,Takayoshi Tonami, Takanori Nagami, and Masayoshi Nakano*,†,¶,ß,æ

J. Phys. Chem. C, 2019, 123, 15403-15411

 

Department of Materials Engineering Science, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan

Center for Spintronics Research Network (CSRN), Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan

ß Quantum Information and Quantum Biology Division, Institute for Open and Transdisciplinary Research Initiatives, Osaka University, Toyonaka, Osaka 560-8531, Japan

æ Institute for MolecularScience, 38 Nishigo-Naka, Myodaiji, Okazaki 444-8585, Japan