1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Analysis of the forward-backward trajectory solution for the mixed quantum-classical Liouville equation
Rent:
Rent this article for
USD
10.1063/1.4798221
/content/aip/journal/jcp/138/13/10.1063/1.4798221
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/13/10.1063/1.4798221
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

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.

Image of FIG. 2.
FIG. 2.

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.

Image of FIG. 3.
FIG. 3.

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.

Image of FIG. 4.
FIG. 4.

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 .

Image of FIG. 5.
FIG. 5.

Asymptotic adiabatic ground state population at 50 fs versus γ. Due to the strong system-bath coupling, the orthogonality approximation compromises the FBTS results.

Image of FIG. 6.
FIG. 6.

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).

Loading

Article metrics loading...

/content/aip/journal/jcp/138/13/10.1063/1.4798221
2013-04-03
2014-04-16
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Analysis of the forward-backward trajectory solution for the mixed quantum-classical Liouville equation
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/13/10.1063/1.4798221
10.1063/1.4798221
SEARCH_EXPAND_ITEM