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脉冲激光偏振方向对氧分子高次谐波的影响——基于含时密度泛函理论的模拟
Effect of laser polarization direction on high order harmonic generation of oxygen molecule——A simulation via TDDFT
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摘要: 采用含时密度泛函方法,结合赝势模型和电子交换相关作用的广义梯度近似,模拟了氧分子在超强飞秒激光脉冲作用下的高次谐波产生现象,并研究了激光脉冲偏振方向对氧分子高次谐波的影响.结果表明氧分子的高次谐波谱具有典型原子谐波谱的特征;当θ=45°(激光偏振方向与分子轴向夹角)时,谐波谱强度最大.这与文献报道的实验结果基本一致.Abstract: The high order harmonic generation (HHG) of O_2 radiated by ultra-strong femto-second pulsed laser beam is simulated by the time dependent density functional theory (TDDFT) method with the general gradient approximation (GGA) of the exchange-correlation energy. The effect of different laser polarization directions on HHG is discussed. The results indicate that the HHG spectrum of O_2 has the similar characteristic as the typical atom HHG spectrum. The HHG yields peaks when the molecules are aligned at about 45° from the polarization axis. Good agreements are found with the experiment.
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