Förster resonance energy transfer, absorption and emission spectra in multichromophoric systems. III. Exact stochastic path integral evaluation

The Journal of Chemical Physics
Jeremy MoixJianshu Cao

Abstract

A numerically exact path integral treatment of the absorption and emission spectra of open quantum systems is presented that requires only the straightforward solution of a stochastic differential equation. The approach converges rapidly enabling the calculation of spectra of large excitonic systems across the complete range of system parameters and for arbitrary bath spectral densities. With the numerically exact absorption and emission operators, one can also immediately compute energy transfer rates using the multi-chromophoric Förster resonant energy transfer formalism. Benchmark calculations on the emission spectra of two level systems are presented demonstrating the efficacy of the stochastic approach. This is followed by calculations of the energy transfer rates between two weakly coupled dimer systems as a function of temperature and system-bath coupling strength. It is shown that the recently developed hybrid cumulant expansion (see Paper II) is the only perturbative method capable of generating uniformly reliable energy transfer rates and emission spectra across a broad range of system parameters.

References

May 15, 2002·Physical Review Letters·Jürgen T Stockburger, Hermann Grabert
Jul 13, 2004·Physical Review Letters·Seogjoo JangRobert J Silbey
Dec 6, 2005·Photosynthesis Research·John M Olson
May 16, 2007·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Rui-Xue Xu, Yijing Yan
Sep 27, 2007·Proceedings of the National Academy of Sciences of the United States of America·Melih K SenerKlaus Schulten
Jan 22, 2008·The Journal of Chemical Physics·Yun Zhou, Jiushu Shao
Apr 1, 2009·The Journal of Physical Chemistry. B·David BeljonneRobert J Silbey
Jan 26, 2011·The Journal of Chemical Physics·Jan RodenAlexander Eisfeld

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Citations

Aug 27, 2015·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Lipeng ChenYang Zhao
Jan 27, 2016·Journal of the American Chemical Society·Julian AdolphsThomas Renger
Feb 26, 2016·The Journal of Physical Chemistry Letters·Amrit PoudelMark A Ratner
Aug 25, 2015·The Journal of Chemical Physics·Jianlan WuZhoufei Tang
Sep 10, 2016·The Journal of Physical Chemistry Letters·Sima Baghbanzadeh, Ivan Kassal
Jun 16, 2015·Physical Chemistry Chemical Physics : PCCP·Pengfei Huo, Thomas F Miller
Feb 24, 2016·Physical Chemistry Chemical Physics : PCCP·Sima Baghbanzadeh, Ivan Kassal
Jul 5, 2016·Physical Chemistry Chemical Physics : PCCP·Vladimir I NovoderezhkinRienk van Grondelle
Oct 13, 2018·Chemical Science·Matthew DuJoel Yuen-Zhou
Dec 16, 2019·The Journal of Chemical Physics·Zhihao Gong, Jianlan Wu
Apr 15, 2020·Science Advances·Jianshu CaoDonatas Zigmantas
Jan 8, 2018·The Journal of Chemical Physics·Chang-Yu Hsieh, Jianshu Cao
May 8, 2018·Chemical Science·Natasha B Taylor, Ivan Kassal
Jun 4, 2020·The Journal of Chemical Physics·Lu HanVladimir Chernyak
Nov 14, 2015·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Hong-Guang DuanMichael Thorwart
Sep 10, 2020·The Journal of Physical Chemistry. B·Lorenzo CupelliniJianshu Cao
Apr 10, 2021·The Journal of Chemical Physics·Sangita MondalBiman Bagchi
Oct 8, 2021·Journal of Chemical Theory and Computation·Yakov BraverAndrius Gelzinis

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