title: Effects of spin-orbit coupling on laser cooling of BeI and MgI.
abstract: We present the ab initio study of spin-orbit coupling effects on laser cooling of BeI and MgI molecules. Potential energy curves for the X(2)Σ(+)(1/2), A(2)Π(1/2,3/2), and 2(2)Π(3/2,1/2) states are calculated using multi-reference configuration interaction method plus Davidson corrections. Spectroscopic parameters of BeI and MgI are in excellent agreement with available experimental and theoretical values. The A(2)Π(3/2) state of MgI is a repulsive state. It is an unsuitable scheme for the A(2)Π(3/2)(υ')← X(2)Σ(+)(1/2) (υ″) transition for laser cooling of MgI. Highly diagonally distributed Franck-Condon factors f00 for the A(2)Π(1/2,3/2) (υ' = 0) ← X(2)Σ(+)(1/2) (υ″ = 0) transitions and suitable radiative lifetimes τ for the A(2)Π(1/2,3/2) (υ' = 0) of BeI and MgI are obtained. Three laser wavelength drives are required for the A(2)Π(1/2,3/2)(υ')←X(2)Σ(+)(1/2) (υ″) transitions of BeI and MgI. The proposed cooling wavelengths of BeI and MgI are both in the violet region. The results imply the feasibility of laser cooling of BeI and MgI, and that laser cooling of BeI is more possible.
authors.affiliation: Computational Physics Key Laboratory of Sichuan Province, Yibin University, Yibin 644007, China.
authors.forename: Mingjie
authors.initials: M
authors.lastname: Wan
authors.affiliation: Computational Physics Key Laboratory of Sichuan Province, Yibin University, Yibin 644007, China.
authors.forename: Duohui
authors.initials: D
authors.lastname: Huang
authors.affiliation: Computational Physics Key Laboratory of Sichuan Province, Yibin University, Yibin 644007, China.
authors.forename: Juxiang
authors.initials: J
authors.lastname: Shao
authors.affiliation: College of Optoelectronic Technology, Chengdu University of Information Technology, Chengdu 610225, China.
authors.forename: You
authors.initials: Y
authors.lastname: Yu
authors.affiliation: College of Physical Science and Technology, Yangtze University, Jingzhou 434023, China.
authors.forename: Song
authors.initials: S
authors.lastname: Li
authors.affiliation: Computational Physics Key Laboratory of Sichuan Province, Yibin University, Yibin 644007, China.
authors.forename: Yuanyuan
authors.initials: Y
authors.lastname: Li