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中文摘要：
The 18 Λ–S states correlated to the lowest dissociation limit of SiTe were calculated by using a high-level multireference configuration interaction(MRCI) method, including scalar relativistic and spin–orbit coupling effects. Based on the calculated potential energy curves, the spectroscopic constants of bound states were determined, which are well consistent with previous experimental results. The spin–orbit matrix elements between the Λ–S states were computed, which lead to an in-depth understanding of perturbations on the electronic state a3Π. Finally, the transition dipole moments of allowed transitions A1Π–X1Σ+, E1Σ+–X1Σ+, a3Π–d3?, a3Π–a 3Σ+, a3Π–e3Σ-, and the radiative lifetimes of A1Π, E1Σ+, and a3Π were evaluated.
英文摘要：
The 18 A-S states correlated to the lowest dissociation limit of SiTe were calculated by using a high-level multirefer-ence configuration interaction （MRCI） method, including scalar relativistic and spin-orbit coupling effects. Based on the calculated potential energy curves, the spectroscopic constants of bound states were determined, which are well consistent with previous experimental results. The spin-orbit matrix elements between the A-S states were computed, which lead to an in-deoth understanding, of oerturbations on the electronic state a^3∏. Finally. the transition dioole moments of allowed transitionsA^1∏-X^1∑^＋,E^1∑^＋-X^1∑^＋,a^3∏-d^3△,a^3∏-d^3△,a^∏-a′^3∑^＋,a^3∏-e^3∑^-,and the radiative lifetimes of A^1∏,E^1∑^＋,and a^3∏ were evaluated.
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