Vibrational-rotational energy transfer in H2-H2 collisions. I. Semiclassical decoupling approximation

Vibrational-rotational energy transfer in H2-H2 collisions. I. Semiclassical decoupling approximation

A new semiclassical decoupling procedure for rotational projection states in rovibrationally inelastic atom-diatom and diatom-diatom collisions is developed. Computed vibrational self-relaxation rate constants for para-H2 and ortho-H2 are in good quantitative agreement (within a factor of 1.5, excep...

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Veröffentlicht in:The Journal of chemical physics 1999-08, Vol.111 (6), p.2401-2406
Hauptverfasser: Zenevich, Vladimir A., Billing, Gert D.
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Billing, Gert D.
description A new semiclassical decoupling procedure for rotational projection states in rovibrationally inelastic atom-diatom and diatom-diatom collisions is developed. Computed vibrational self-relaxation rate constants for para-H2 and ortho-H2 are in good quantitative agreement (within a factor of 1.5, except for the lowest temperatures) with experimental data over the investigated temperature range 50–2000 K. This allows us to hope that also more detailed (nonmeasured) rate constants for rovibrational state-to-state transitions in molecular hydrogen, calculated by our new model, are sufficiently accurate for astrophysical applications.
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title Vibrational-rotational energy transfer in H2-H2 collisions. I. Semiclassical decoupling approximation
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