中文摘要：

采用多参考组态相互作用方法计算了Ar-S2团簇,得到了Ar-S2（X3Σg-）与Ar-S2（B3Σu-）的势能曲面;计算并讨论了Ar原子与S2分子的相对位置R与S2（B3Σu-→X3Σg-）跃迁矩变化的关系;分析了Ar对S2分子轨道的压缩和诱导偶极矩随R的变化,以及其在高压脉冲快放电激励S2分子激光器实验中对实现S2分子发光的影响.

英文摘要：

The Ar-S2 complex was investigated by the highly correlated multi-reference configuration interaction method. The potential energy curves for Ar-S2（ X3Σ g） and Ar-S2（ B3Σ u） were obtained. The transition moments of S2（ B3Σ u→X3Σ g） dependence of the relative position of Ar atom and S2 molecule was calculated. The molecular orbitals collapse of S2 by the Ar atom was analyzed. Effect of the Ar atom on the S2 molecular radiation which pumped by high voltage fast discharge was further discussed.