TaO分子跃迁结构的理论研究

Theoretical Studies on the Transitional Structures of TaO Molecule

摘要: 结合实验上获得的有限的低激发振转态的跃迁结构, 利用孙卫国等建立的能精确计算双核分子体系跃迁谱线的理论方法, 研究了TaO分子K²Φ_5/2-X²Δ_3/2跃迁过程中(1, 2)跃迁带的R线系跃迁结构。获得的理论结果在重现已知实验数据的基础上又成功预测了包含转动量子数J=80.5在内的高激发振转态的跃迁谱线数据, 为进一步正确认识TaO分子的微观结构提供了重要的光谱信息。

Abstract: The R-branch transitional spectral lines of the (1, 2) band of K²Φ_5/2-X²Δ_3/2 electronic transition system of TaO molecule are obtained by using the new analytical formula derived in Sun's previous study. The theoretical results supply important physical information for unknown transitional spectral lines up to J = 80. 5 for related studies.