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

被引：25

作者：

Zenevich, VA ^{[1
]}

Billing, GD ^{[1
]}

机构：

[1] Univ Copenhagen, HC Orsted Inst, Dept Chem, DK-2100 Copenhagen, Denmark

来源：

JOURNAL OF CHEMICAL PHYSICS | 1999年 / 111卷 / 06期

关键词：

D O I：

10.1063/1.479517

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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-H-2 and ortho-H-2 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. (C) 1999 American Institute of Physics. [S0021-9606(99)02330-2].

引用

页码：2401 / 2406

页数：6

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