Laser cooling of InF, InCl and InH with an ab initio study.
Laser cooling of InF, InCl and InH with an ab initio study.
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InF、InCl 和 InH 的激光冷却从头开始研究
作者：
基于量子化学从头算方法研究了激光冷却InP、InCl和InH的可行性。为了确定其适用于激光冷却分子，我们计算了电子结构，光谱参数，跃迁偶极矩（TDM），辐射寿命，弗兰克-康登因子（FCF）和二极管激光激发波长的氟化铟，氯化铟和氢化铟。计算的光谱常数的前三个电子态的氟化铟，氯化铟和氢化铟显示出良好的协议与现有的理论和实验结果。对于C1 <$X → X1 <$X+跃迁，InF具有高对角分布的FCF（f00 = 0.961，f11 = 0.909），C1 <$X态的最低振动能级寿命较短，仅为2.77 ns.值得注意的是，InF的3 <$X → X1 <$X+跃迁也具有大的对角FCF和短的寿命。因此，InCl和InH不是潜在的激光冷却候选者，因为1Π → X1 π +跃迁的FCF是非对角的。本文的研究结果为进一步研究InP、InCl和InH的理论和实验提供了理论参考。我们的从头计算表明，激光冷却的可能性的氟化铟，氯化铟和氢化铟。
The feasibility of laser cooling InF, InCl and InH is investigated based on ab initio quantum chemistry. To determine their suitability for laser cooling molecules, we have calculated the electronic structures, spectroscopic parameters, transition dipole moments (TDMs), radiative lifetimes, Franck–Condon factors (FCFs) and diode laser excitation wavelengths of InF, InCl and InH. Calculated spectroscopic constants of the first three electronic states for InF, InCl and InH show good agreement with available theoretical and experimental results. InF has highly diagonally distributed FCFs (f00 = 0.961, f11 = 0.909) for the C1Π → X1Σ+ transition, and the rather short lifetime of the state C1Π is computed to be 2.77 ns at the lowest vibrational level. Notable is that the 3Π → X1Σ+ transition of InF also has large diagonal FCFs and short lifetimes. Therefore, InCl and InH are not potential laser-cooling candidates because the FCFs of the 1Π → X1Σ+ transition are off-diagonal. We further propose laser cooling schemes for InF. The present results could provide a promising theoretical reference for further theoretical and experimental research on InF, InCl and InH. Our ab initio calculations demonstrate the possibility of laser cooling InF, InCl and InH.
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