N（2D）＋H2（D2,HD）反应的积分截面与产物转动取向研究

Study on the Integral Cross Section and Product Rotational Alignment of the N（~2D）＋H_2（D_2,HD） Reactions

利用Ho等人的势能面,对题目中的反应进行了准经典轨线计算.计算出的反应积分截面结果与近期两个量子力学计算结果进行了比较:我们的计算结果在碰撞能量较高时与其中的一个量子力学计算结果一致,而在碰撞能量较低时与另外一个量子力学计算结果一致.本文对产物转动取向〈P2(j′.K〉也进行了计算.

Quasi-classical trajectory calculations are carried out for the title reactions on the potential energy surface of Ho et al.Our calculated integral cross section values have been compared with the recent two quantum mechanics（QM） ones： they are close to those of one QM calculation in the high collision energy range,but they approach to another one in the low collision energy range.The product rotational alignments 〈P2（j′·K〉 have also been calculated.