转动激发态H $_2$ O与He碰撞的转动猝灭
Rotational quenching of rotationally-excited H$_2$O in collisions with He
摘要:
本文给出了邻位和对位H $_2$ O与He原子碰撞的理论转动猝灭截面和速率系数。采用完全角动量紧耦合方法和角动量解耦的耦合态近似,求解了水分子大范围旋转激发态的散射问题。从初始水平1 $_{1,0}$,2 $_{1,2}$,2 $_{2,1}$,3 $_{0,3}$,3例$_{1,2}$,3例$_{2,1}$,4个$_{1,4}$,3个$_{3,0}$,和4 $_{2,3}$的邻位-H $_2$ 0和从初始水平1 $_{1,1}$,$_{0,2}$ 2例,$_{1,1}$ $_{1,1}$ 2例,$_{2,0}$ 2例,$_{1,3}$ 3例,$_{2,2}$ 3例,$_{0,4}$ 4例,4 $_{1,3}$和3 $_{3,1}$的对位H $_2$ O的动能从10 $^{-5}$到10 $^4$ cm $^{-1}$。状态到状态和总退激截面和速率系数的温度在0.1和3000 K之间的报告。目前的状态到状态的速率系数被发现是在很好的协议与以前的结果得到的绿色和同事在高温下,但在较低的温度下得到显着的差异可能是由于所采用的势能面的差异。简要讨论了电流率系数在天体物理中的应用。
英文摘要:
Theoretical rotational quenching cross sections and rate coefficients of ortho- and para-H$_2$O due to collisions with He atoms are presented. The complete angular momentum close-coupling approach as well as the coupled-states approximation for angular momentum decoupling were applied to solve the scattering problem for a large range of rotationally-excited states of water. Results are obtained for quenching from initial levels 1$_{1,0}$, 2$_{1,2}$, 2$_{2,1}$, 3$_{0,3}$, 3$_{1,2}$, 3$_{2,1}$, 4$_{1,4}$, 3$_{3,0}$, and 4$_{2,3}$ of ortho-H$_2$O and from initial levels 1$_{1,1}$, 2$_{0,2}$, 2$_{1,1}$, 2$_{2,0}$, 3$_{1,3}$, 3$_{2,2}$, 4$_{0,4}$, 4$_{1,3}$, and 3$_{3,1}$ of para-H$_2$O for kinetic energies from 10$^{-5}$ to 10$^4$ cm$^{-1}$. State-to-state and total deexcitation cross sections and rate coefficients for temperatures between 0.1 and 3000 K are reported. The present state-to-state rate coefficients are found to be in good agreement with previous results obtained by Green and coworkers at high temperatures, but significant discrepancies are obtained at lower temperatures likely due to differences in the adopted potential energy surfaces. Astrophysical applications of the current rate coefficients are briefly discussed.
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