State-to-state rate coefficients for H+H2
作者： M. E. Mandy , P. G. Martin
DOI: 10.1063/1.478731
关键词: Hydrogen molecule 、 Trajectory 、 Energy transfer 、 Quantum 、 State (functional analysis) 、 Atomic physics 、 Collision 、 Chemistry 、 Atmospheric temperature range 、 Hydrogen atom
摘要: We have used the quasiclassical trajectory (QCT) method to determine state-to-state rate coefficients for all transitions among 348 (v,j) states of ground electronic state (Σg+) hydrogen molecule caused by collision with a atom. Direct and indirect results were combined give best possible within approximation. Because energy transfer behavior differs reactive nonreactive channels these are distinguishable classically, it is appropriate consider separately each channel. Where available, quantum cross sections incorporated into our calculation. The temperature dependence parametrized over range 600 10 000 K. use this complete set test several scaling laws.
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