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Influence of molecular orientation on the photodissociation process of LiH molecules
International Journal of Quantum Chemistry ( IF 2.2 ) Pub Date : 2024-02-04 , DOI: 10.1002/qua.27357
Yan Yan 1 , Hong‐Ru Liu 1 , Zhu‐Ying Sheng 1 , Peng‐Fei Cui 1 , Jie Yu 1 , Shuo Chai 1
Affiliation  

Regulation of photodissociation dynamics of oriented LiH molecules in different dissociation channels is proposed based on time dependent quantum wave packet theory. The enhancement of molecular orientation on the photodissociation of LiH is obvious with our theoretical scheme. The results show that the molecular orientation in the ground state has a great effect on the angular distributions of wave packets. By using the proper laser pulses and controlling the polarization direction of the laser pulses, the enhancement of the photodissociation could be realized. After the molecular orientation, an optimal dissociation channel is observed with an improved dissociation probability. Compared with the results without molecular orientation, the maximal dissociation probability is increased by 8.1% in the indirect dissociation channel and 30.7% in the direct dissociation channel. The enhancement effect is more obvious in the direct dissociation channel, which provides a possible method to manipulate the dissociation of LiH molecules experimentally. Additionally, the photodissociation process of LiH also relies on the electric intensity and delay time of two pump pulses.

中文翻译:

分子取向对LiH分子光解过程的影响

基于时间相关量子波包理论,提出了不同解离通道中定向 LiH 分子光解离动力学的调控。根据我们的理论方案,分子取向对 LiH 光解离的增强是明显的。结果表明,基态分子取向对波包角分布有很大影响。通过使用合适的激光脉冲并控制激光脉冲的偏振方向,可以实现光解的增强。分子取向后,观察到解离概率提高的最佳解离通道。与无分子取向的结果相比,间接解离通道的最大解离概率增加了8.1%,直接解离通道的最大解离概率增加了30.7%。直接解离通道中的增强效果更为明显,这为实验上操纵LiH分子的解离提供了可能的方法。此外,LiH的光解过程还依赖于两个泵浦脉冲的电场强度和延迟时间。
更新日期:2024-02-05
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