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Herman-Kluk semiclassical dynamics in action-angle representation: New approaches to mapping quantum degrees of freedom
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10.1063/1.2200700
/content/aip/journal/jcp/124/20/10.1063/1.2200700
http://aip.metastore.ingenta.com/content/aip/journal/jcp/124/20/10.1063/1.2200700
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

The total probability on surface 1, , as a function of the initial momentum . Solid lines (—) are the exact quantum results, squares (◻) and bullets (●) represent the SC-IVR results using the Meyer-Miller model and the new model Hamiltonian , respectively.

Image of FIG. 2.
FIG. 2.

The conservation of norm for various SC-IVR calculations are studied. The final norm of the wave packet, as a function of the initial momentum , is compared to its initial norm (unity). SC-IVR calculations are performed with different numbers of trajectories using the model Hamiltonian and the Meyer-Miller Hamiltonian to test the convergence of results.

Image of FIG. 3.
FIG. 3.

An ensemble of 70 classical trajectories is used in the calculation of wave-packet propagation through the crossing point. is plotted for trajectories with initial momenta and 8.0.

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/content/aip/journal/jcp/124/20/10.1063/1.2200700
2006-05-31
2014-04-18
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Herman-Kluk semiclassical dynamics in action-angle representation: New approaches to mapping quantum degrees of freedom
http://aip.metastore.ingenta.com/content/aip/journal/jcp/124/20/10.1063/1.2200700
10.1063/1.2200700
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