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考虑完全相同的两束激光脉冲与原子相互作用的过程,研究氢里德堡波包在磁场中随时间的演化。结果显示了波包的运动与闭合轨道密切相关。讨论了双脉冲的相位参数以及脉冲宽度对谱的影响。 相似文献
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Exact quantum dynamics study of the H(2S)+SiH+(X1Σ+) reaction on a new potential energy surface of SiH2+(X2A1) 下载免费PDF全文
Wen-Li Zhao 《中国物理 B》2021,30(12):123403-123403
Based on a new global potential energy surface of SiH2+(X2A1), the exact quantum dynamical calculation for the H(2S)+SiH+(X1Σ+)→H2+Si+ reaction has been carried out by using the Chebyshev wave packet method. The initial state specified (νi=0, ji=0) probabilities, integral cross sections (ICS) and thermal rate constants of the title reaction are calculated. All partial wave contributions up to J=90 are calculated in exact quantum calculation including the full Coriolis coupling (CC) effect. The dynamical behaviors of probabilities, ICSs and rate constants are found to be in accord with an exothermic reaction without potential barrier. By comparing the probabilities of CC with the corresponding centrifugal sudden (CS) approximation ones, it can be concluded that neglecting CC effect will decrease the collision time, increase the amplitude of oscillation and lead to overestimation or underestimation of the reaction probability. For ICSs and rate constants, it is found that the deviation of CC and CS ICSs is small in the most of collision energy range except for the range of 0 eV-0.05 eV, while the deviation of both rate constants is considerable in the temperature range of 16 K-1000 K. 相似文献
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基于一个最新的CH2(X-3A″)势能面,运用切比雪夫波包方法对初始态为(v=0,j=0)的C(3P)+H2(X1∑g^+)→H(2S)+CH(2Π)反应体系在1.0-2.0 eV的碰撞能量范围内进行了动力学研究.通过对角动量量子数J=60以下的所有分波进行计算,得到了反应几率、积分散射截面和速率常数.计算中用到了耦合态近似方法和考虑科里奥利耦合效应的精确量子方法.通过对比发现,随着角动量量子数以及能量的增加,科里奥利耦合效应的影响越发显著,因而对于该反应体系,科里奥利耦合效应不可忽略.本文计算所得的积分散射截面和速率常数尚无实验数据可以比较,对该反应的后续研究有一定的参考价值. 相似文献
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半经典闭合轨道理论已经成功地计算了在外加磁场和平行电磁场中的里德堡原子的回归谱.但对于垂直电磁场中的里德堡原子,理论和计算都变得更为复杂.本文把闭合轨道理论推广到三维情况,采用 B.Hüpper的模型势计算了ε=-0.03,主量子数n≈ 40,m=0下He原子在垂直电磁场中的光吸收谱和回归谱,并和H原子在垂直电磁场中的回归谱作比较,突出了实散射的贡献.计算中应用了离子实散射的分区自洽迭代方法,并考虑到轨道的多次重复和离子实的多次散射效应.这是对闭合轨道理论的验证和进一步推广. 相似文献