中国物理B ›› 2018, Vol. 27 ›› Issue (10): 103101-103101.doi: 10.1088/1674-1056/27/10/103101

• SPECIAL TOPIC—Recent advances in thermoelectric materials and devices • 上一篇    下一篇

Laser cooling of CH molecule: Insights from ab initio study

Jie Cui(崔洁), Jian-Gang Xu(徐建刚), Jian-Xia Qi(祁建霞), Ge Dou(窦戈), Yun-Guang Zhang(张云光)   

  1. School of Science, Xi'an University of Posts and Telecommunications, Xi'an 710121, China
  • 收稿日期:2018-03-21 修回日期:2018-07-25 出版日期:2018-10-05 发布日期:2018-10-05
  • 通讯作者: Yun-Guang Zhang E-mail:zygsr2010@163.com
  • 基金资助:

    Project supported by the National Natural Science Foundation of China (Grant No. 61705182).

Laser cooling of CH molecule: Insights from ab initio study

Jie Cui(崔洁), Jian-Gang Xu(徐建刚), Jian-Xia Qi(祁建霞), Ge Dou(窦戈), Yun-Guang Zhang(张云光)   

  1. School of Science, Xi'an University of Posts and Telecommunications, Xi'an 710121, China
  • Received:2018-03-21 Revised:2018-07-25 Online:2018-10-05 Published:2018-10-05
  • Contact: Yun-Guang Zhang E-mail:zygsr2010@163.com
  • Supported by:

    Project supported by the National Natural Science Foundation of China (Grant No. 61705182).

摘要:

The feasibility of laser cooling a CH molecule is investigated theoretically by employing the ab initio method. The potential energy curves for the five Λ-S states and eight Ω states of CH are determined by the multi-reference configuration interaction with the Davidson corrections (MRCI+Q) level of theory. The results agree well with the available experimental data and other theoretical values. Also, the permanent dipole moments and transition dipole moments of the CH molecule are calculated at the multi-reference configuration interaction (MRCI) level. We find highly diagonally distributed Franck-Condon factors (f00=0.9950 and 0.9998) and branching ratios (R00=0.983 and 0.993) for the A2Δ→X2Π and C2Σ+→X2Π transitions. Moreover, the values of suitable radiative lifetime τ of the A2Δ and C2Σ+ states are evaluated to be 9.64×10-7 s and 2.02×10-7 s, respectively, for rapid laser cooling. A scheme for laser cooling the CH molecule is designed. In the proposed cooling scheme, three wavelengths for A2Δ→X2Π and C2Σ+→X2Π transitions are used, and the main pump lasers are λ00=430.86 nm and 313.45 nm, respectively. The feasibility of laser cooling the CH molecules is demonstrated for each of these schemes, and this study offers a theoretical basis for experimental research into preparation of cold CH molecules.

关键词: spectroscopic constants, transition diople moments, Franck-Condon factors, laser cooling

Abstract:

The feasibility of laser cooling a CH molecule is investigated theoretically by employing the ab initio method. The potential energy curves for the five Λ-S states and eight Ω states of CH are determined by the multi-reference configuration interaction with the Davidson corrections (MRCI+Q) level of theory. The results agree well with the available experimental data and other theoretical values. Also, the permanent dipole moments and transition dipole moments of the CH molecule are calculated at the multi-reference configuration interaction (MRCI) level. We find highly diagonally distributed Franck-Condon factors (f00=0.9950 and 0.9998) and branching ratios (R00=0.983 and 0.993) for the A2Δ→X2Π and C2Σ+→X2Π transitions. Moreover, the values of suitable radiative lifetime τ of the A2Δ and C2Σ+ states are evaluated to be 9.64×10-7 s and 2.02×10-7 s, respectively, for rapid laser cooling. A scheme for laser cooling the CH molecule is designed. In the proposed cooling scheme, three wavelengths for A2Δ→X2Π and C2Σ+→X2Π transitions are used, and the main pump lasers are λ00=430.86 nm and 313.45 nm, respectively. The feasibility of laser cooling the CH molecules is demonstrated for each of these schemes, and this study offers a theoretical basis for experimental research into preparation of cold CH molecules.

Key words: spectroscopic constants, transition diople moments, Franck-Condon factors, laser cooling

中图分类号:  (Ab initio calculations)

  • 31.15.A-
37.10.Mn (Slowing and cooling of molecules) 87.80.Cc (Optical trapping)