Monte Carlo wavefunction approach to the exciton dynamics of molecular aggregates with exciton-phonon coupling

S. Ohta, M. Nakano, R. Kishi, H. Takahashi, S. Furukawa

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

We develop the second-order Monte Carlo wavefunction (MCWF) approach to the exciton dynamics of molecular aggregate systems composed of dipole-coupled two-state monomers. The explicit form of Lindblad operator, which is indispensable for applying the MCWF approach, for population relaxation among exciton states is derived based on the quantum master equation involving weak exciton-phonon coupling. The exciton migration behaviors obtained by the MCWF approach are turned out to coincide with those by the conventional master equation approach, indicating the high potential of the MCWF approach to the dissipative exciton dynamics of extended molecular aggregates or supermolecules.

Original languageEnglish
Pages (from-to)70-74
Number of pages5
JournalChemical Physics Letters
Volume419
Issue number1-3
DOIs
Publication statusPublished - 2006 Feb 15

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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