Corpus ID: 236493595

Quantum dynamics simulation of intramolecular singlet fission in covalently linked tetracene dimer

@inproceedings{Mardazad2021QuantumDS,
  title={Quantum dynamics simulation of intramolecular singlet fission in covalently linked tetracene dimer},
  author={Sam Mardazad and Yihe Xu and Xuexiao Yang and Martin Grundner and U. Schollwock and Haibo Ma and S. Paeckel},
  year={2021}
}
In this work we study singlet fission in tetracene para-dimers, covalently linked by a phenyl group. In contrast to most previous works, we account for the full quantum dynamics of the combined excitonic and vibrational system. For our simulations we choose a numerically unbiased representation of the molecule’s wave function enabling us to compare with experiments, exhibiting good agreement. Having access to the full wave function allows us to study in detail the post-quench dynamics of the… Expand
Charge-density-wave breakdown in a heterostructure with electron-phonon coupling
Understanding the influence of vibrational degrees of freedom on transport through a heterostructure poses considerable theoretical and numerical challenges. In this work, we use the density-matrixExpand

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