研究目的
Investigating the spectroscopic properties of the low-lying excited states and the feasibility of laser cooling for the SrBr molecule.
研究成果
The PECs of seven electronic states and the TDMs of the transitions involving in laser cooling scheme are obtained for the SrBr molecule. The calculated spectroscopic parameters are in agreement with the experimental data available in the literature, confirming the reliability of the present ab initio results. The laser cooling schemes can achieve ~102 μK of Doppler temperature but B2Σ+ ? X2Σ+ transition needs one more pumping laser. The recoil temperatures of the transitions can reach ~102 nK, implying SrBr molecule could be cooled to sub-microkelvin temperature with some cooling methods below the Doppler limit.
研究不足
The technical and application constraints of the experiments, as well as potential areas for optimization, are not explicitly mentioned in the paper.
1:Experimental Design and Method Selection:
The multi-reference configuration interaction plus Davidson corrections calculations (MRCI+Q) are used to deal with the electronic correlation calculation of the SrBr molecule. The basis sets of cc-pwCVQZ-X2C for Sr atom and cc-pwCVQZ for Br are employed. The relativistic effect is calculated for the molecule by using the Douglas-Kroll-Hess (DKH) Hamiltonian.
2:Sample Selection and Data Sources:
The state-averaged molecular orbitals used in the MRCI+Q calculations are generated with a multiconfigurational self-consistent field (MCSCF) calculation.
3:List of Experimental Equipment and Materials:
The MOLPRO package is used for all calculations. The LEVEL
4:0 program package is used to solve the Schr?dinger equation of nuclear motion. Experimental Procedures and Operational Workflow:
The PECs of the considered electronic states span a range from
5:0 to 0 ? with a step size of 05 ?. Data Analysis Methods:
The spectroscopic parameters are obtained by fitting the energy levels into Dunham expansion.
独家科研数据包,助您复现前沿成果,加速创新突破
获取完整内容