基于ab initio的BD+离子激光冷却理论研究
Theoretical investigation of laser cooling for BD+cation by ab inito calculation
摘要
Abstract
Based on consistent basis set aug-cc-pV5Z, five low-lying potential energy curves and transition dipole moments X2Σ+, A2Π, B2Σ+, a4Π and b4Σ+ of BD+ are calculated by using internally contracted multi-reference configuration interaction approach. According to the calculation results, ro-vibrational levels of theses electronic states are derived through solving the radial Schr?dinger equation ro-vibrational equation, and then the molecular parameters, Franck-Condon factors (FCFs) and radiation life are obtained by fitting and calculations. The FCFs (f00=0.923) and radiation life for υ′′ =0 (τ =235 ns) of A2Π–X2Σ+ are suitable for achieving rapid laser cooling. Therefore, an optical-cycle for Doppler laser cooling scheme is proposed: the system includes the A2Π1/2(υ′ = 0)–X2Σ+(υ′′ = 0, 1), where the case of υ′ = 0 contains 2 rotational levels, the cases of υ′′ = 0 and υ′′ = 1 contain 6 and 4 rotational levels, respectively. According to the proposal, we simulate the dynamic process of the molecular population in laser cooling. The BD+ can be decelerated from initial velocity of 100 m/s to 4.6 m/s (13 mK) after scattering 1150 photons during 5.4 ms.关键词
BD+离子/组态相互作用方法/光谱常数/Doppler激光冷却Key words
BD+ cation/MRCI/spectroscopic parameters/Doppler laser cooling引用本文复制引用
李亚超,赵延霆,孟腾飞,李传亮,邱选兵,和小虎,杨雯,郭苗军,赖云忠,魏计林..基于ab initio的BD+离子激光冷却理论研究[J].物理学报,2017,66(16):77-84,8.基金项目
国家自然科学基金(批准号:11504256,U1610117,61675120)、中国科学院时间频率基准重点实验室开放基金、精密光谱科学与技术国家重点实验室开放课题、山西省高等学校科技创新项目(批准号:2015166)、晋城市科技攻关项目(批准号:1201501004-22)、山西省高等学校创新人才支持计划和山西省回国留学人员科研资助项目(批准号:2016-096)资助的课题.Project supported by the National Natural Science Foundation of China (Grant Nos.11504256,U1610117,61675120),the Open Fund of Key Laboratory of Time and Frequency Primary Standards and the Scientific,China,the State Key Laboratory of Precision Spectroscopy,China,Technological Innovation Programs of Higher Education Institutions in Shanxi,China (Grant No.2015166),Jincheng''s Programs for Science and Technology (Grant No.1201501004-22),the OIT Program of Shanxi Province,China and the Project of Shanxi Scholarship Council of China (Grant No.2016-096). （批准号:11504256,U1610117,61675120）
