Configuration Interaction of Electronic Structure and Spectroscopy of AlH and Its Cation  

作　　者：Shu-Tao Zhao Jun Li Rui Li Shuang Yin Hui-Jie Guo 赵书涛;李俊;李瑞;阴爽;国慧杰(School of Physics and Electronic Science,Fuyang Normal University,Fiiyang 236037,China;Institute of Atomic and Molecular Physics,Jilin University,Changchun 130012,China;Department of Physics,College of Science,Qiqihar University,Qiqihar 161006,China)

机构地区：[1]School of Physics and Electronic Science,Fuyang Normal University,Fiiyang 236037,China [2]Institute of Atomic and Molecular Physics,Jilin University,Changchun 130012,China [3]Department of Physics,College of Science,Qiqihar University,Qiqihar 161006,China

出　　处：《Chinese Physics Letters》2021年第4期40-45,共6页中国物理快报（英文版）

基　　金：the National Natural Science Foundation of China(Grant No.11604052);the Fundamental Research Funds in Heilongjiang Province Universities,China(Grant No.135109223);the Natural Science Research Project of the Education Department of Anhui Province,China(Grant No.KJ2020A0544);the Anhui Provincial Natural Science Foundation,China(Grant No.1908085ME150);the Excellent Youth Talent Project of the Education Department of Anhui Province,China(Grant No.gxyq ZD2019046);the key Program of Excellent Youth Talent Project of Fuyang Normal University,China(Grant No.rcxm201801)。

摘　　要：We carry out a detailed study of the low-lying states of AlH and AlH^(+),using a multireference configuration interaction method.Based on the computed potential energy curves,the spectroscopic constants of bound A-S states are fitted;these agree with the results for the measurements.The values of the permanent dipole moment of the A-S states are calculated,and the charge transfer mechanism is discussed.Based on the calculated transition dipole moments and vibrational levels,the radiative lifetimes of bound states are determined.Finally,tunneling lifetimes,and v’=0-2 vibrational levels of 4^(2)∑^(+) and 3^(2)Π states with a potential barrier are investigated.

关 键 词：method. VIBRATIONAL DIPOLE 

分 类 号：O614.31[理学—无机化学] O641.3[理学—化学]