Multireference calculations on low-lying states and the X^3 Π_u -~3 Π_g absorption spectra of indium dimers  

作　　者：周凌松 闫冰 金明星 

机构地区：[1]Institute of Atomic and Molecular Physics, Jilin University

出　　处：《Chinese Physics B》2013年第4期227-231,共5页中国物理B（英文版）

基　　金：Project supported by the National Magnetic Confinement Fusion Science Program of China (Grant No. 2010GB104003);the Fundamental Research Funds for the Central Universities (Grant No. 450060481375)

摘　　要：Multireference configuration interaction calculations are carried out on 11 Λ–S low-lying electronic states of indium dimers. The states are investigated with spin–orbit pseudopotentials via the state-interacting method, and characterized by fitted spectroscopic constants based on computed potential energy curves. The vibrational structures of the double-potential well 0^＋g （I） （ ^3 Σ g^- ） state are also analyzed. The experimentally observed absorption spectrum centred at ～ 13000cm-1 is simulated and assigned to X 3 Πu （v＇=0）–3Πg transition according to the present ab initio calculations on transition energies and dipole moment functions.Multireference configuration interaction calculations are carried out on 11 Λ–S low-lying electronic states of indium dimers. The states are investigated with spin–orbit pseudopotentials via the state-interacting method, and characterized by fitted spectroscopic constants based on computed potential energy curves. The vibrational structures of the double-potential well 0^＋g （I） （ ^3 Σ g^- ） state are also analyzed. The experimentally observed absorption spectrum centred at ～ 13000cm-1 is simulated and assigned to X 3 Πu （v＇=0）–3Πg transition according to the present ab initio calculations on transition energies and dipole moment functions.

关 键 词：indium dimer spin-orbit coupling spectroscopic constants transition dipole moment 

分 类 号：O433.51[机械工程—光学工程]