摘要
SiO^+ and SiO, which play vital roles in astrophysics and astrochemistry, have long attracted considerable attention.However, accurate information about excited states of SiO^+ is still limited. In this work, the structures of 14 Λ–S states and 30? states of SiO^+ are computed with explicitly correlated configuration interaction method. On the basis of the calculated potential energy curves of those Λ–S states and ? states, the spectroscopic constants of bound states are evaluated, which are in good agreement with the latest experimental results. The predissociation mechanism of B^2Σ^+ state is illuminated with the aid of spin–orbit coupling matrix elements. On the basis of the calculated potential energy curves and transition dipole moments, the radiative lifetime for each of low-lying vibrational states B^2Σ^+and A^2Π is estimated. The laser cooling scheme of SiO^+ is proposed by employing B^2Σ^+–X^2Σ^+ transition. Finally, the vertical ionization energy values from SiO(X^1Σ^+) to ionic states: SiO^+ , X^2Σ^+, B^2Σ^+, and A^2Π are calculated, which agree well with experimental measurements.
SiO^+ and SiO, which play vital roles in astrophysics and astrochemistry, have long attracted considerable attention.However, accurate information about excited states of SiO^+ is still limited. In this work, the structures of 14 Λ–S states and 30? states of SiO^+ are computed with explicitly correlated configuration interaction method. On the basis of the calculated potential energy curves of those Λ–S states and ? states, the spectroscopic constants of bound states are evaluated, which are in good agreement with the latest experimental results. The predissociation mechanism of B^2Σ^+ state is illuminated with the aid of spin–orbit coupling matrix elements. On the basis of the calculated potential energy curves and transition dipole moments, the radiative lifetime for each of low-lying vibrational states B^2Σ^+and A^2Π is estimated. The laser cooling scheme of SiO^+ is proposed by employing B^2Σ^+–X^2Σ^+ transition. Finally, the vertical ionization energy values from SiO(X^1Σ^+) to ionic states: SiO^+ , X^2Σ^+, B^2Σ^+, and A^2Π are calculated, which agree well with experimental measurements.
作者
Rui Li
Gui-Ying Liang
Xiao-He Lin
Yu-Hao Zhu
Shu-Tao Zhao
Yong Wu
李瑞;梁桂颖;林晓贺;朱宇豪;赵书涛;吴勇(Department of Physics College of Science Qiqihar University;Institute of Applied Physics and Computational Mathematics;School of Physics and Electronic Science Fuyang Normal University;HEDPS Center for Applied Physics and Technology Peking University)
基金
Project supported by the National Key Research and Development Program of China(Grant No.2017YFA0402300)
the Science Challenge Project(Grant No.TZ2016005)
the China Postdoctoral Science Foundation(Grant No.2018M631404)
the National Natural Science Foundation of China(Grant No.11404180)
the University Nursing Program for Yong Scholars with Creative Talents in Heilongjiang Province,China(Grant No.UNPYSCT-2015095)
the Natural Science Research Project of Education Department of Anhui Province,China(Grant No.KJ2018A0342)
the Key Program of Excellent Youth Talent Project of Fuyang Normal University,China(Grant No.rcxm201801)
