Murrell et al, the canonical coordinates and canonical moment as well as Hamilton canonical equations in mass center coordinates have been deduced, classical trajectories and energy of H_2O molecule have been computed. The computed result is compared with the result computed by Runge-Kutta method. 给出的水分子基态势能函数,在质心坐标系中推导了水分子的正则坐标与共轭正则动量和Hamilton正则方程,应用辛格式计算了水分子的经典轨迹和能量,并与Runge-Kutta法做了比较。
Computing classical trajectories of H 2 and O 2 in Murrell Sorbie diatomic potential 应用Murrell-Sorbie双原子势计算H2和O2的经典轨迹