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Low-energy rotational inelastic collisions of H+ + CO system
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10.1063/1.3679742
/content/aip/journal/jcp/136/4/10.1063/1.3679742
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/4/10.1063/1.3679742

Figures

Image of FIG. 1.
FIG. 1.

Radial multipolar expansion coefficients for H+ + CO system as a function of R at r = r eq with (a) the lower coefficients in attractive region, (b) the higher coefficients in the repulsive region, (c) V 0 and V 1 coefficients from the original MS PES, and the PES with the fitted long-range components.

Image of FIG. 2.
FIG. 2.

Computed state-to-state integral cross sections for rotational excitations as a function of E cm for (a) 0–200 cm−1 and (b) 0–800 cm−1.

Image of FIG. 3.
FIG. 3.

Computed state-to-state rate as a function of temperature for (a) 0–175 K and (b) 0–1170 K.

Image of FIG. 4.
FIG. 4.

Computed opacities for state-to-state inelastic cross sections as a function of angular momentum for the CC and CS calculations.

Image of FIG. 5.
FIG. 5.

Computed inelastic state-to-state integral cross sections as a function of the final rotational state j for the CC, CS, and IOS calculations.

Image of FIG. 6.
FIG. 6.

Computed state-to-state integral cross sections values as a function of collision energy using (a) the CC method and (b) the CS method.

Image of FIG. 7.
FIG. 7.

Radial multipolar expansion coefficients for v = 1 state as a function of R with (a) the lower coefficients in attractive region and (b) the higher coefficients in the repulsive region.

Image of FIG. 8.
FIG. 8.

Comparison of the computed close-coupling integral cross sections for v = 0 and vibrationally averaged potential (v = 1) into all allowed values of j at E cm = 0.1 eV.

Tables

Generic image for table
Table I.

Values of dipole moment μ, quadrupole moment Q, dipole polarizability components α0 and α2 (in a.u.) computed at r eq = 2.138 a o in various levels of theory along with the experimental values.

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/content/aip/journal/jcp/136/4/10.1063/1.3679742
2012-01-31
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Low-energy rotational inelastic collisions of H+ + CO system
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/4/10.1063/1.3679742
10.1063/1.3679742
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