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A novel construction of complex-valued Gaussian processes with arbitrary spectral densities and its application to excitation energy transfer
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10.1063/1.4808377
/content/aip/journal/jcp/138/22/10.1063/1.4808377
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/22/10.1063/1.4808377
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Comparison of the results of the conditional propagation scheme and POP second-order master equation at the weak damping limit.

Image of FIG. 2.
FIG. 2.

Comparison of the results of the MCMC and CD methods (the imaginary parts of the populations ρ and ρ in (a) and (b) are at the magnitude of 1.0 × 10).

Image of FIG. 3.
FIG. 3.

We present four spectral densities: Ohmic spectral density with Lorentzian cutoff, Ohmic spectral density with exponential cutoff, and spectral densities with Gaussian cutoff with σ = γ and σ = 2γ (γ = 5 ps).

Image of FIG. 4.
FIG. 4.

Kernels of four different spectral densities, Lorentzian (a), exponential cut (b), Gaussian with σ = γ (c), and Gaussian with σ = 2γ (d) (γ = 5 ps).

Image of FIG. 5.
FIG. 5.

Population dynamics of FMO, ρ(), in the site representation for the kernels of four different spectral densities: Lorentzian, exponential cutoff, and Gaussians with two different σ’s. (a) The results for Lorentzian, (b) the results for exponential cut, and (c) and (d) the results for Gaussians with two different widths, σ = γ and σ = 2γ (γ = 5 ps).

Image of FIG. 6.
FIG. 6.

(a)–(d) Corresponding imaginary part (in reference to Fig. 5 ) of the populations, ρ() (y-axis scale is at the magnitude of 1.0 × 10 or 1.0 × 10 for (d)).

Image of FIG. 7.
FIG. 7.

(a) The spectral densities with differential exponential cutoffs, ω = 2, 5, 10 ps and (b)–(d) the comparison of the results, the population dynamics of reduced systems, ρ, for the three different spectral densities.

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/content/aip/journal/jcp/138/22/10.1063/1.4808377
2013-06-10
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: A novel construction of complex-valued Gaussian processes with arbitrary spectral densities and its application to excitation energy transfer
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/22/10.1063/1.4808377
10.1063/1.4808377
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