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 m...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.展开更多
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)
文摘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.
