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Full dimension Rb2He ground triplet potential energy surface and quantum scattering calculations
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10.1063/1.4709433
/content/aip/journal/jcp/136/17/10.1063/1.4709433
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/17/10.1063/1.4709433

Figures

Image of FIG. 1.
FIG. 1.

Cuts of the potential energy surface at r = 6.117 Å for γ = 0° (black), 30° (green), 60° (blue), and γ = 90° (red) in Kelvin as a function of R. The full potential surface is presented in full lines while the restriction to the two-body expansion is shown in dashed lines. The zero of energy corresponds to the separated atoms limit.

Image of FIG. 2.
FIG. 2.

Contour plots of potential energy surfaces averaged over the v = 0 (left panels) and the v = 4 (right panels) vibrational states of Rb2. The helium atom is localized by its Cartesian coordinates assuming that Rb2 lies along the x axis. The contour lines are with respect to the He + Rb2 dissociation limit. The contour line spacing is 0.5 K for the upper panel and 0.3 K for the lower panel which focuses on the potential well region.

Image of FIG. 3.
FIG. 3.

Vibrational relaxation probability for 4He as a function of the collision energy in Kelvin for initial rovibrational states (v i , j = 0) with v i = 1, 2, 3, and 4.

Image of FIG. 4.
FIG. 4.

Vibrational relaxation probability for 4He as a function of collision energy in Kelvin for initial rovibrational states (v i , j i = 0) with v i = 1, 2, 3, and 4. This figure presents two blow-ups of the data presented in Fig. 3 in the energy ranges of the two resonance features. The openings of the (v i + 1, j = 0) channels are materialized by the vertical black lines in the right panel.

Image of FIG. 5.
FIG. 5.

Vibrational relaxation probability for v i = 1 as a function of collision energy in K. The black full line corresponds to 4He colliding with Rb2 using the full potential. The red dashed line presents the effect of the isotopic substitution of 4He by 3He on the full potential. The blue pointed line is obtained when 4He collides with Rb2 on the two-body potential surface.

Image of FIG. 6.
FIG. 6.

Elastic and inelastic J = 0 rate coefficients for 4He + Rb2 collisions with the initial rovibrational state v i = 0, …, 4, j = 0 of Rb2 as a function of the collisional energy in Kelvin.

Image of FIG. 7.
FIG. 7.

Rotational distribution of the (v i = 1, j i = 0) → (v f = 0, j f ) transition for three collision energies, (a) 10−6 K, (b) 0.15 K, and (c) 2 K for both 4He (black circles) and 3He (red triangle).

Tables

Generic image for table
Table I.

Long-range coefficients taken from Ref. 32 for RbHe and from Refs. 33 and 34 for Rb2.

Generic image for table
Table II.

Scattering length as defined in Eq. (6) for 4He and 3He colliding with Rb2 in various vibrational states (v i , j i = 0). Values obtained when the three-body term of the potential is removed are also presented (2B).

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/content/aip/journal/jcp/136/17/10.1063/1.4709433
2012-05-03
2014-04-16
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Full dimension Rb2He ground triplet potential energy surface and quantum scattering calculations
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/17/10.1063/1.4709433
10.1063/1.4709433
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