On the accuracy of the LSC-IVR approach for excitation energy transfer in molecular aggregates.

@article{Teh2017OnTA,
  title={On the accuracy of the LSC-IVR approach for excitation energy transfer in molecular aggregates.},
  author={Hung-Hsuan Teh and Yuan-Chung Cheng},
  journal={The Journal of chemical physics},
  year={2017},
  volume={146 14},
  pages={
          144105
        }
}
We investigate the applicability of the linearized semiclassical initial value representation (LSC-IVR) method to excitation energy transfer (EET) problems in molecular aggregates by simulating the EET dynamics of a dimer model in a wide range of parameter regime and comparing the results to those obtained from a numerically exact method. It is found that the LSC-IVR approach yields accurate population relaxation rates and decoherence rates in a broad parameter regime. However, the classical… CONTINUE READING