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首页> 外文期刊>International Journal of Quantum Chemistry >Selective control of photoassociation of alkaline earth dimers: A theoretical study
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Selective control of photoassociation of alkaline earth dimers: A theoretical study

机译:碱土地球二聚体光学扫描选择性控制:理论研究

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摘要

The laser synthesis of alkaline earth dimers (Be-2, Mg-2, Ca-2, Sr-2, and Ba-2) is investigated by theoretical calculation. Photoassociation based on ab initio calculations is rationalized by Franck-Condon filtering. The optimal target states of photoassociations have been obtained, which are A(1)sigma(+)(u) state for Be-2, Mg-2, and Ca-2, and are B-1 sigma(+)(u) state for Sr-2 and Ba-2, corresponding to vibrational transition bands from X-1 sigma(+)(g) to excited state are 0-1, 0-7, 0-10, 0-13, and 0-3, respectively. The proposed laser drive transitions to target states are also investigated that range from 350 to 740 nm. By using quantum wave-packet dynamic methods, we calculated the absorption cross sections of photon energy and yields for the selected states of photoassociation. It show that the most sensitive molecules for quantum selective control of photoassociation are Be-2 and Ba-2 for alkaline earth dimers. These important parameters will provide a feasible scheme for further experimental researches.
机译:通过理论计算研究了碱土地层二聚体(BE-2,Mg-2,Ca-2,SR-2和BA-2)的激光合成。基于AB Initio Calculation的PhotoAcsociation由Franck-Condon滤波合理化。已经获得了光学腺组织的最佳目标状态,其是BE-2,Mg-2和Ca-2的(1)σ(+)(U)状态,并且是B-1 sigma(+)(u) SR-2和BA-2的状态,对应于来自X-1 Sigma(+)(g)的振动过渡带达激励状态为0-1,0-7,0-10,0-13和0-3 , 分别。还研究了所提出的激光驱动转变为靶状态,其范围为350至740nm。通过使用量子波分组动态方法,我们计算了光子能量的吸收横截面,并对光学腺份的所选状态的产率。它表明,用于量子腺份分子的量子选择性控制的最敏感的分子是碱性接地二聚体的2和Ba-2。这些重要参数将为进一步的实验研究提供可行的方案。

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