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Rovibrational energy transfer in collisions
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10.1063/1.2776266
/content/aip/journal/jcp/127/11/10.1063/1.2776266
http://aip.metastore.ingenta.com/content/aip/journal/jcp/127/11/10.1063/1.2776266

Figures

Image of FIG. 1.
FIG. 1.

Contributions from different partial waves for the transition for I1 at different collision energies.

Image of FIG. 2.
FIG. 2.

Comparisons of state-to-state integral cross sections for collisions (process I1), on BMKP (-) and BMKPE (--) PESs. The numbers in the upper left corners denote the rotational transitions . The cross sections for the transition are multiplied by a factor of 8.

Image of FIG. 3.
FIG. 3.

Comparison of cross sections (summed over all final ) for the transition for the vibrational inelastic process I1 for different initial combinations as indicated in the figure.

Image of FIG. 4.
FIG. 4.

Comparisons of the cross sections for different rotational transitions as indicated in each of the figures for the processes I1 (solid lines) and I2 (dashed lines). The cross sections for are multiplied by a factor of 10.

Image of FIG. 5.
FIG. 5.

Same as in Fig. 4 but for . The cross sections for are multiplied by a factor of 20.

Image of FIG. 6.
FIG. 6.

Same as in Fig. 4 but for . The cross sections for are multiplied by a factor of 4.

Image of FIG. 7.
FIG. 7.

Cross sections for (process I3). (a) , (b) , (c) . Different lines refer to different final states as indicated. The order of the cross sections at reads 21, 03, 23, 41, and 43 for (a); 23, 01, 21, 43, and 41 for (b); and 23, 41, 01, 43, and 03 for (c).

Image of FIG. 8.
FIG. 8.

Vibrational de-excitation cross sections for . (a) , (b) , (c) . Different lines refer to different final rotational states . The order of the cross sections at reads 23, 01, 43, 21, 41, and 03 for (a); 25, 03, 45, 23, 43, 01, 21, and 41 for (b); and 43, 21, 41, 23, 03, and 01 for (c).

Tables

Generic image for table
Table I.

Parameters for the primitive basis sets employed for each degree of freedom. The brackets indicate the mode combinations, and the last column gives the number of single-particle functions used for the modes. FFT is a fast Fourier transform; HO is a harmonic oscillator (Hermite) DVR; and KLeg is a two-dimensional extended Legendre DVR (Ref. 50) similar to the one of Refs. 51 and 52.

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/content/aip/journal/jcp/127/11/10.1063/1.2776266
2007-09-19
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Rovibrational energy transfer in ortho-H2+para-H2 collisions
http://aip.metastore.ingenta.com/content/aip/journal/jcp/127/11/10.1063/1.2776266
10.1063/1.2776266
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