【摘要】 采用MRCI+Q方法，计算了YbH分子两个最低电子态A²Π和Χ²Σ的势能曲线，得到了相应的光谱常数，与实验结果符合较好。基于振动波函数和计算的A²Π-X²Σ⁺跃迁偶极矩，理论上得到了YbH分子的Franck-Condon（FC）因子以及相关能级的辐射寿命。结果显示A²Π-X²Σ⁺跃迁具有较高的对角化FC因子(f₀₀=0.945)和较短的辐射寿命（τ=22.2 ns），表明YbH分子是一个适合激光冷却的分子，给出了三束激光冷却YbH分子的光循环方案，其中主泵浦光波长为619.7 nm，辅泵浦光波长分别为670.4 nm和664.8 nm，计算结果将为实验上冷却YbH分子提供参考。更多还原

【Abstract】 The potential energy curves for electronic states A²ΠandΧ²Σof YbH molecule are investigated by MRCI+Q method.Based on the potential energy curves,the spectroscopic parameters are determined.The results of calculation agree with experimental and theoretical values satisfactorily.Meanwhile,the transition dipole moments,Franck-Condon factors and radiative lifetime of YbH molecule are investigated.The results indicate tha the A²Π-X²Σ⁺transition has a high diagonalized Franck-Condon factor(f₀₀=0.945)and a shorter radiation lifetime（τ=22.2 ns）,indicating that YbH molecule is a suitable molecule for laser cooling.A three-laser-driven scheme for laser cooling of YbH molecules is presented.The calculated wavelengths of pump and repump laser areλ₀₀（619.7 nm），λ₀₁（670.4 nm）andλ₁₂（664.8 nm）respectively.The calculation results will provide useful reference for laser cooling of YbH molecules in experiments.更多还原