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- Jiang, Shengshi, et al. Show all 4 Authors
- The Journal of Physical Chemistry C 2016 v.120 no.3 pp. 1375-1389
- energy conversion; equations; microscopy; models; physical chemistry; quantum mechanics; solar collectors; solar energy
- ... Singlet fission (SF) is supposed to potentially improve the efficiency of solar energy conversion in organic photovoltaic systems. The multilayer multiconfigurational time-dependent Hartree (ML-MCTDH) method was employed to describe the singlet fission of the pentacene system with a three-state model. The ML-MCTDH result agrees well with the previous simulations using the Redfield theory, the hier ...