应用Murrell-Sorbie双原子势计算双原子分子的经典轨迹

Computing the Classical Trajectories of Diatomic Molecules with Murrell Sorbie Diatomic Potential

采用 Ｍ ｕｒｒｅｌｌ Ｓｏｒｂｉｅ 双原子势和显式辛格式计算 Ｈ Ｆ 和 Ｌｉ Ｆ 的经典轨迹． 计算结果表明，

Classical trajectories of diatomic systems HF and LiF were calculated by means of symplectic algorithms in Murrell Sorbie diatomic potential. The results show that the classical trajectories are smooth.