摘要
应用多体项展式理论方法的势能函数和准经典轨线方法对反应Ｆ＋Ｈ２（ｖ＝０，ｊ＝０）→ＨＦ（ｖ′，ｊ′）＋Ｈ进行了动力学研究，给出了反应截面σｒ与初始相对平动能ＥＴ的关系，还给出了反应产物ＨＦ分子在各振动、转动态的布居数。并研究了初始平动能的选取与提高泛频激光的功率的关系。
It has been considerable interest to study the overtone laser of HF, therefore, in the present paper the classical trajectories have been calculated for reaction F+H 2( v=0,j=0 )HF( v′,j′ )+H using an analytical potential energy function based on the many body expansion method. It has been found that the threshold energy of reaction described above is 0.30eV or 6.4kcal·mol -1 , which is in good agreement with that of . The variation of population distributions of finally vibrational and rotational states for HF( v′,j′ ) with initial kinetic energy E T have presented in detail, from which the population inversion between v′ =2 and v′ =0 of HF are quite remarkable from 10 to 40kcal·mol -1 of E T, however, less apparent from 50 to 180 kcal·mol -1 of E T. This may be very important for laser technology and theory, so it is needed to confirm further.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
1996年第4期397-402,共6页
Journal of Atomic and Molecular Physics
