分子高次谐波产生过程中同位素效应的理论研究简

本文通过求解非玻恩-奥本海默近似条件下的一维含时薛定谔方程比较研究了H+2和HD+分子离子体系高次谐波谱的特征.数值计算结果表明,对于H+2体系干涉最小值对激光强度和分子初始振动态都很敏感,与此不同,HD+分子离子体系的干涉最小值的变化只依赖于初始振动态的选取.此外,借助于时频分布和电离几率,计算结果得到了合理的解释.

Theoretical exploration of the isotopic effect on the generations of the molecular high-order harmonics

The isotopic effect on the molecular high-order harmonics generation is studied by numerically solving the one-dimensional (1D) time-dependent Schrödinger equation (TDSE) when the model H2+/HD+ ions are exposed to an intense laser pulse. To explain the effect more clearly, not only the ionization probabilities but also the time-frequency profiles are calculated. The results show that the interference minimum is sensitive to the laser intensity and the initial vibrational level for H2+ ions; in contrast, it is only dependent on the initial vibrational level for HD+ ions.