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

doi:10.1016/j.cplett.2005.11.052

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

SCI - Chemistry

Research output: Contribution to journal › Article › peer-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 language	English
Pages (from-to)	70-74
Number of pages	5
Journal	Chemical Physics Letters
Volume	419
Issue number	1-3
DOIs	https://doi.org/10.1016/j.cplett.2005.11.052
Publication status	Published - 2006 Feb 15

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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title = "Monte Carlo wavefunction approach to the exciton dynamics of molecular aggregates with exciton-phonon coupling",

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.",

author = "S. Ohta and M. Nakano and R. Kishi and H. Takahashi and S. Furukawa",

note = "Funding Information: This work was supported by Grant-in-Aid for Scientific Research (No. 14340184) from Ministry of Education, Science, Sports and Culture, Japan.",

year = "2006",

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T1 - Monte Carlo wavefunction approach to the exciton dynamics of molecular aggregates with exciton-phonon coupling

AU - Ohta, S.

AU - Nakano, M.

AU - Kishi, R.

AU - Takahashi, H.

AU - Furukawa, S.

N1 - Funding Information: This work was supported by Grant-in-Aid for Scientific Research (No. 14340184) from Ministry of Education, Science, Sports and Culture, Japan.

PY - 2006/2/15

Y1 - 2006/2/15

N2 - 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.

AB - 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.

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