应用Murrell-Sorbie双原子势计算H_2和O_2的经典轨迹  

COMPUTING CLASSICAL TRAJECTORIES OF H 2 AND O 2 IN MURRELL SORBIE DIATOMIC POTENTIAL

作　　者：李桂琴[1] 周茜 刘淑琴[3] 

机构地区：[1]清华大学物理系 [2]哈尔滨师专物理系 [3]长春科技大学应用数学系

出　　处：《计算物理》1999年第4期358-361,共4页Chinese Journal of Computational Physics

基　　金：国家自然科学基金;攀登计划项目LSEC资助课题

摘　　要：采用ＭｕｒｒｅｌＳｏｒｂｉｅ双原子势和显式辛格式计算了Ｈ２和Ｏ２的经典轨迹，计算结果与实验和理论进行了比较，经典轨迹在折返点处是光滑的。Classical trajectories of diatomic system H 2 and O 2 are calculated by means of symplectic algorithms in Murrell Sorbie diatomic potential. The results have been compared with the experiment and theory, and s how that the classical trajectories are quite glossy.

关 键 词：双原子势 显式辛格式 经典轨迹 氢分子 氧分子 

分 类 号：O562.2[理学—原子与分子物理]