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Chin. Phys. B, 2016, Vol. 25(4): 043101    DOI: 10.1088/1674-1056/25/4/043101

Ab initio study on the electronic states and laser cooling of AlCl and AlBr

Rong Yang(杨荣)1,2, Bin Tang(唐斌)3, Tao Gao(高涛)2
1 College of Materials Science and Engineering, Chongqing Jiaotong University, Chongqing 400074, China;
2 Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;
3 Institute of Finance & Trade, Chongqing City Management College, Chongqing 401331, China

We investigate whether AlCl and AlBr are promising candidates for laser cooling. We report new ab initio calculations on the ground state X1Σ+ and two low-lying states (A1Π and a3Π) of AlCl and AlBr. The calculated spectroscopic constants show good agreement with available theoretical and experimental results. We also obtain the permanent dipole moments (PDMs) curve at multi-reference configuration interaction (MRCI) level of theory. The transition properties of A1Π and a3Π states are predicted, including the transition dipole moments (TDMs), Franck-Condon factors (FCFs), radiative times and radiative width. The calculated radiative lifetimes are of the order of a nanosecond, implying that they are sufficiently short for rapid laser cooling. Both AlCl and AlBr have highly diagonally distributed FCFs which are crucial requirement for molecular laser cooling. The results demonstrate the feasibility of laser cooling AlCl and AlBr, and we propose laser cooling schemes for AlCl and AlBr.

Keywords:  AlCl      AlBr      laser cooling  
Received:  26 September 2015      Revised:  29 December 2015      Accepted manuscript online: 
PACS:  31.15.A- (Ab initio calculations)  
  37.10.Mn (Slowing and cooling of molecules)  
  87.80.Cc (Optical trapping)  
Corresponding Authors:  Tao Gao     E-mail:

Cite this article: 

Rong Yang(杨荣), Bin Tang(唐斌), Tao Gao(高涛) Ab initio study on the electronic states and laser cooling of AlCl and AlBr 2016 Chin. Phys. B 25 043101

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