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Elastic and charge transfer processes in collisions
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10.1063/1.2158998
/content/aip/journal/jcp/124/3/10.1063/1.2158998
http://aip.metastore.ingenta.com/content/aip/journal/jcp/124/3/10.1063/1.2158998

Figures

Image of FIG. 1.
FIG. 1.

Jacobi coordinates.

Image of FIG. 2.
FIG. 2.

Adiabatic potential energy curves for , , and molecular orientations. The and the curves are shown with solid lines while the and the curves are shown as dashed curves.

Image of FIG. 3.
FIG. 3.

Same as in Fig. 2 but on the magnified scale in the interaction region. The ground states and are not shown.

Image of FIG. 4.
FIG. 4.

Radial nonadiabatic coupling matrix elements (NACME) for the ground and the first excited states for three molecular orientations.

Image of FIG. 5.
FIG. 5.

Mixing angle obtained between the ground and the first excited states for three molecular orientations.

Image of FIG. 6.
FIG. 6.

Adiabatic and diabatic potential energy curves for , , and . Full lines indicate adiabatic curves and dashed lines indicate diabatic curves.

Image of FIG. 7.
FIG. 7.

Snap-shots of wavepacket propagating on two diabatic curves for orientation. The wavepacket with dashed lines shows the time-evolution on the first excited state.

Image of FIG. 8.
FIG. 8.

Probability of the system at time in the diabatic states. The sum of the two probabilities is one for all times.

Image of FIG. 9.
FIG. 9.

Radial nonadiabatic coupling matrix elements (NACME) computed for the GS and the three excited states for .

Image of FIG. 10.
FIG. 10.

Diabatic potential energy curves for orientation.

Image of FIG. 11.
FIG. 11.

Snap-shots of wavepacket propagating on four diabatic curves for . See the text.

Image of FIG. 12.
FIG. 12.

Probability of the system at time in the diabatic states.

Tables

Generic image for table
Table I.

Grid parameters used for TDWP study.a

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/content/aip/journal/jcp/124/3/10.1063/1.2158998
2006-01-20
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Elastic and charge transfer processes in H++CO collisions
http://aip.metastore.ingenta.com/content/aip/journal/jcp/124/3/10.1063/1.2158998
10.1063/1.2158998
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