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Non-Born-Oppenheimer molecular dynamics of Na⋯FH photodissociation
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10.1063/1.2798763
/content/aip/journal/jcp/127/19/10.1063/1.2798763
http://aip.metastore.ingenta.com/content/aip/journal/jcp/127/19/10.1063/1.2798763

Figures

Image of FIG. 1.
FIG. 1.

Fraction of FSTU (solid) and CSDM (dashed) trajectories with delay times greater than . Note that the ordinate axis is logarithmic.

Image of FIG. 2.
FIG. 2.

Contour plot of the ground (dashed) and excited (solid) state surfaces of collinear NaFH. The contour spacing is , and the highest energy contour is . The line of avoided crossings is shown as a thick solid line. The locations of the first downward hops (open circles) are shown for 100 FSTU trajectories. Also shown are the locations of the first upward hopping attempts, which may be successful (filled diamonds), frustrated and reflected (×), or frustrated and ignored (+).

Tables

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Table I.

Product branching probabilities (%) and half lives (ps) of the Na⋯FH exciplex.

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/content/aip/journal/jcp/127/19/10.1063/1.2798763
2007-11-20
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Non-Born-Oppenheimer molecular dynamics of Na⋯FH photodissociation
http://aip.metastore.ingenta.com/content/aip/journal/jcp/127/19/10.1063/1.2798763
10.1063/1.2798763
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