Theoretical study of spin-forbidden cooling transitions of indium hydride using ab initio methods

doi:10.1088/1674-1056/26/9/093101

中国物理B ›› 2017, Vol. 26 ›› Issue (9): 93101-093101.doi: 10.1088/1674-1056/26/9/093101

• ATOMIC AND MOLECULAR PHYSICS • 上一篇下一篇

Theoretical study of spin-forbidden cooling transitions of indium hydride using ab initio methods

Yun-Guang Zhang(张云光), Hua Zhang(张华), Ge Dou(窦戈)

School of Science, Xi'an University of Posts and Telecommunications, Xi'an 710121, China

收稿日期:2017-05-07 修回日期:2017-06-05 出版日期:2017-09-05 发布日期:2017-09-05
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 Nos. 11104217 and 11402199) and the Program for New Scientific and Technological Star of Shaanxi Province, China (Grant No. 2012KJXX-39).

Theoretical study of spin-forbidden cooling transitions of indium hydride using ab initio methods

Yun-Guang Zhang(张云光), Hua Zhang(张华), Ge Dou(窦戈)

School of Science, Xi'an University of Posts and Telecommunications, Xi'an 710121, China

Received:2017-05-07 Revised:2017-06-05 Online:2017-09-05 Published:2017-09-05
Contact: Yun-Guang Zhang E-mail:zygsr2010@163.com
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 11104217 and 11402199) and the Program for New Scientific and Technological Star of Shaanxi Province, China (Grant No. 2012KJXX-39).

摘要/Abstract

摘要：

The feasibility of spin-forbidden cooling of the InH molecule is investigated based on ab initio quantum chemistry calculations. The potential energy curves for the X¹Σ₀₊⁺, a³Π_0-, a³Π₀₊, a³Π₁, a³Π₂, A¹Π₁, 1³Σ_0-⁺, and 1³Σ₁⁺ states of InH are obtained based on multi-reference configuration interaction plus the Davidson corrections method. The calculated spectroscopic constants are in good agreement with the available experimental data. In addition, the influences of the active space and spin-orbit coupling effects on the potential energy curves and spectroscopic constants are also studied. For R_e of a³Π_0-, a³Π₀₊, a³Π₁, and a³Π₂ states, the error from large active space is small. The potential energy curve of the A¹Π₁ state is not smooth for small active space. The spin-orbit coupling effects have great influences on the potential well depth and equilibrium internuclear distance of the A¹Π state. The Franck-Condon factors and radiative lifetimes are obtained on the basis of the transition dipole moments of the a³Π₀₊→X¹Σ₀₊⁺,a³Π₁→X¹Σ₀₊⁺,and A¹Π₁→X¹Σ₀₊⁺ transitions. Our calculation indicates that the a³Π₁(v'=0)→X¹Σ₀₊⁺(v=0) transition provides a highly diagonally distributed Franck– Condon factor and a short radiative lifetime for the a³Π₁ state, which can ensure rapid and efficient laser cooling of InH. The proposed laser drives a³Π₀₊→X¹Σ₀₊⁺ transitions by using three wavelengths.

关键词: spectroscopic constants, Franck-Condon factors, transition dipole moments, spin-forbidden cooling transition

Abstract:

Key words: spectroscopic constants, Franck-Condon factors, transition dipole moments, spin-forbidden cooling transition

中图分类号: (Ab initio calculations)

31.15.A-

37.10.Mn (Slowing and cooling of molecules) 87.80.Cc (Optical trapping)

张云光, 张华, 窦戈. Theoretical study of spin-forbidden cooling transitions of indium hydride using ab initio methods[J]. 中国物理B, 2017, 26(9): 93101-093101.

Yun-Guang Zhang(张云光), Hua Zhang(张华), Ge Dou(窦戈). Theoretical study of spin-forbidden cooling transitions of indium hydride using ab initio methods[J]. Chin. Phys. B, 2017, 26(9): 93101-093101.

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Theoretical study of spin-forbidden cooling transitions of indium hydride using ab initio methods

Theoretical study of spin-forbidden cooling transitions of indium hydride using ab initio methods

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