Asymptotic populations of the diabatic state 1 (solid lines and solid squares) and state 2 (dashed lines and open squares) as functions of the initial momentum P 0 of the incident wave packet.
Population difference as a function of Ωt with the parameter set: ε = 0, Ω = 0.4, ξ = 0.09, β = 12.5, and ω c = 1.0. See the text for the two modified focused initial conditions.
Population difference as a function of Ωt with the following parameters: ε = Ω = 0.4, ξ = 0.13, β = 12.5, and ω c = 1.0. (a) Comparison of results obtained with the FBTS and its variants with the exact quantum values. (b) Comparison of results obtained with the FBTS with proper and modified focused initial conditions. See text for definitions of the four cases.
Population distribution of bacteriochlorophyll (Bchl.) 1–3 as function of t at temperature of 77 K. The solid lines represent the traceless-form results, and the corresponding color dots represent the trace-form results. The red data points are extracted from Ref. 34 .
Asymptotic adiabatic ground state population at 50 fs versus γ. Due to the strong system-bath coupling, the orthogonality approximation compromises the FBTS results.
The probability distribution for importance sampling of a pair of forward and backward quantum states versus t for a typical trajectory in the original basis (a) and rotated basis (b). In the later case, a more dispersed probability distribution allows for a more balanced samplings of all pairs of state combinations. One should replace 1/2 with +/− when using the legend in panel a to interpret the curves in panel (b).
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