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基于电子特性的三原子SOH和SeOH分子的直接激光冷却方案。

Direct laser cooling schemes for the triatomic SOH and SeOH molecules based on electronic properties.

作者信息

Liu Li, Yang Chuan-Lu, Sun Zhao-Peng, Wang Mei-Shan, Ma Xiao-Guang

机构信息

School of Physics and Optoelectronic Engineering, Ludong University, Yantai 264025, People's Republic of China.

出版信息

Phys Chem Chem Phys. 2021 Jan 28;23(3):2392-2397. doi: 10.1039/d0cp04963h.

Abstract

Direct laser cooling is a very promising method to obtain cold molecules for various applications. However, a molecule with satisfactory electronic and optical properties for the optical scheme is difficult to identify. By suggesting criteria for the qualified molecules, we develop a method to identify the suitable polyatomic molecules for direct laser cooling. The new criteria from the equilibrium geometrical structures and fundamental frequencies of the ground and low-lying excited states are used to replace the past ones based on Franck-Condon factors. The new method can rapidly identify the preferable one among many candidate polyatomic molecules based on ab initio calculations because the new criteria are free from the construction of potential energy surfaces. The method is testified by using triatomic molecules containing OH. All the reported and two new molecules suitable for direct laser cooling are identified by comparing 168 electronic states of 28 molecules with the new criteria. The newly found molecules have been confirmed using the Franck-Condon factors from the construction of potential energy surfaces. Finally, the optical schemes for the direct laser cooling of the SOH and SeOH molecules are established.

摘要

直接激光冷却是一种非常有前景的方法,可用于获取适用于各种应用的冷分子。然而,很难找到一种对于光学方案具有令人满意的电子和光学性质的分子。通过提出合格分子的标准,我们开发了一种方法来识别适用于直接激光冷却的多原子分子。基于基态和低激发态的平衡几何结构及基频的新准则,被用于取代过去基于弗兰克 - 康登因子的准则。这种新方法能够基于从头计算,在众多候选多原子分子中快速识别出更优的分子,因为新准则无需构建势能面。通过使用含OH的三原子分子对该方法进行了验证。通过将28种分子的168个电子态与新准则进行比较,识别出了所有已报道的以及两种适用于直接激光冷却的新分子。新发现的分子已通过构建势能面得到的弗兰克 - 康登因子进行了确认。最后,建立了SOH和SeOH分子直接激光冷却的光学方案。

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