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