Mass effects and internal space geometry in triatomic reaction dynamics

Tomohiro Yanao, Wang S. Koon, Jerrold E. Marsden

研究成果: Article査読

9 被引用数 (Scopus)

抄録

The effect of the distribution of mass in triatomic reaction dynamics is analyzed using the geometry of the associated internal space. Atomic masses are appropriately incorporated into internal coordinates as well as the associated non-Euclidean internal space metric tensor after a separation of the rotational degrees of freedom. Because of the non-Euclidean nature of the metric in the internal space, terms such as connection coefficients arise in the internal equations of motion, which act as velocity-dependent forces in a coordinate chart. By statistically averaging these terms, an effective force field is deduced, which accounts for the statistical tendency of geodesics in the internal space. This force field is shown to play a crucial role in determining mass-related branching ratios of isomerization and dissociation dynamics of a triatomic molecule. The methodology presented can be useful for qualitatively predicting branching ratios in general triatomic reactions, and may be applied to the study of isotope effects.

本文言語English
論文番号052704
ジャーナルPhysical Review A - Atomic, Molecular, and Optical Physics
73
5
DOI
出版ステータスPublished - 2006
外部発表はい

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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