强激光场中异核氢分子离子HD^+的动力学行为的研究

The Research of Dynamical Action of HD^+ in High power Laser Field

基于分子动力学的经典轨迹方法,采用四步四阶显式辛格式算法对强激光场中异核氢分子离子HD+的各种动力学行为的时间演化进行计算,对计算结果进行分析,并和同核氢分子离子H2+的动力学行为相比较,得到异核氢分子离子不同于同核氢分子离子的动力学行为特点.计算结果与理论分析的一致,验证了采用辛算法研究强激光场作用下的分子动力学行为是可行的.

Based on the classical trajectories method of molecular dynamics, the symplectic algorithm is used to calculate all kinds of curves of dynamical action of HD^ ＋ in high power laser field. By analyzing and comparing the results with that of H2^＋ , the dynamical actions of HD ^＋ are obtained differing from the H2^＋. The results show that the symplectic algorithm for investigatiing the action of molecular dynamics in high power laser field is feasible.