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Quantum calculations of collisions: From ultracold to thermal energies
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10.1063/1.3081225
/content/aip/journal/jcp/130/11/10.1063/1.3081225
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/11/10.1063/1.3081225
View: Figures

Figures

Image of FIG. 1.
FIG. 1.

Jacobi vectors used to describe molecule-molecule collisions.

Image of FIG. 2.
FIG. 2.

The effective potentials as functions of for the system for , , and .

Image of FIG. 3.
FIG. 3.

Upper panel: Partial-wave resolved and total elastic cross sections for collisions as a function of the collision energy. Lower panel: Inelastic state-to-state cross sections for the system as a function of the collision energy. For clarity, only the final CMSs have been shown.

Image of FIG. 4.
FIG. 4.

State-to-state cross sections for collisions at an energy of . The parameters corresponding to the black distributions are adopted in the final production calculations. Upper panel: Convergence with respect to the angular anisotropic terms of the PES. Lower panel: Convergence with respect to the number of points for the radial and angular integrations and the cutoff energy for the basis set.

Image of FIG. 5.
FIG. 5.

Upper panel: Vibrational relaxation cross sections as functions of the collision energy for the system. Lower panel: State-to-state cross sections at a collision energy of .

Image of FIG. 6.
FIG. 6.

Rate coefficient for the vibrational relaxation of in collisions with as a function of the temperature. Results obtained using the BMKP and BMKPE PESs are compared with the experimental results of Audibert et al. (Ref. 46).

Image of FIG. 7.
FIG. 7.

Elastic and inelastic cross sections as functions of the collision energy. Upper panel: Elastic cross sections for collisions. Middle panel: Elastic and inelastic cross sections for collisions. Lower panel: Elastic and inelastic cross sections for collisions.

Image of FIG. 8.
FIG. 8.

Elastic cross section for collisions as a function of the incident collision energy. The experimental results of Bauer et al. (Ref. 47) and theoretical results of Lee et al. (Ref. 27) are also shown.

Image of FIG. 9.
FIG. 9.

State-to-state cross sections for rotational excitation in collisions as functions of the collision energy. The results of Otto et al. (Ref. 43) are included for comparison.

Image of FIG. 10.
FIG. 10.

Rate coefficient as a function of the temperature for collisions. The TDWP results of Otto et al. (Ref. 43) and experimental results of Maté et al. (Ref. 26) are also included for comparison. The TDWP results are almost identical to the present results for .

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/content/aip/journal/jcp/130/11/10.1063/1.3081225
2009-03-17
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Quantum calculations of H2–H2 collisions: From ultracold to thermal energies
http://aip.metastore.ingenta.com/content/aip/journal/jcp/130/11/10.1063/1.3081225
10.1063/1.3081225
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