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Overlapping resonances in the control of intramolecular vibrational redistribution
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10.1063/1.2710791
/content/aip/journal/jcp/126/12/10.1063/1.2710791
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/12/10.1063/1.2710791

Figures

Image of FIG. 1.
FIG. 1.

Contour plot of the potential energy surface given by Eq. (32). Solid and dashed lines represent, respectively, energy contours above and below the dissociation onset, at (thick solid line).

Image of FIG. 2.
FIG. 2.

(a) Poincaré surface of the section for the collinear OCS model at . The solid line represents the total energy contour. (b) Distance between two nearby trajectories (with ) chosen in the stable region (▾) and in the chaotic sea (▴). The high-frequency oscillations have been averaged out in both cases [the smoothing causes to appear as if it does not begin at zero]. (c) CS bond vibrational energy corresponding to the chaotic trajectory of part (b).

Image of FIG. 3.
FIG. 3.

IVR control in OCS: (a) IVR suppression and (b) IVR enhancement. The parameters defining the optimal superposition for are given in Table II.

Image of FIG. 4.
FIG. 4.

Individual decay for wave functions consisting of each individual eigenvector used in the construction of the optimal superpositions. The labels correspond to those given in Table II.

Image of FIG. 5.
FIG. 5.

Contribution of (dashed line) and (dotted line) to (a) IVR suppression and (b) IVR enhancement. The solid line represents the corresponding function from Figs. 3.

Image of FIG. 6.
FIG. 6.

Wave packet evolution corresponding to IVR suppression. Dashed lines represent equipotential energy contours, with the innermost corresponding to the wave packet energy .

Image of FIG. 7.
FIG. 7.

Wave packet evolution corresponding to IVR enhancement. Dashed lines represent equipotential energy contours, with the innermost corresponding to the wave packet energy

Tables

Generic image for table
Table I.

Parameters defining the potential energy surface given by Eq. (32). All magnitudes are given in a.u.

Generic image for table
Table II.

Values corresponding to the eigenstates for the (uncoupled) CS bond used in the optimized superpositions. denotes the energy associated to these eigenstates; and are the real and imaginary parts of the coefficients, respectively; and is the decay time (see text for details). The optimization to maximize/minimize the energy transfer into the CO bond (suppression/enhancement of IVR) has been carried out at . The energy corresponding to the group state in the (uncoupled) CO bond is

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/content/aip/journal/jcp/126/12/10.1063/1.2710791
2007-03-26
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Overlapping resonances in the control of intramolecular vibrational redistribution
http://aip.metastore.ingenta.com/content/aip/journal/jcp/126/12/10.1063/1.2710791
10.1063/1.2710791
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