An analytical formula has been proposed to predict the high-lying spectral lines of rovibrational transitions for diatomic systems by Sun et al. who used multiple spectral difference method. This study improves the formula based on their previous work by adding a higher order spectral term Hυ. Applications of this new formula to the AuO molecule shows that the accuracy of the P-branch rovibrational transition lines is about one order of magnitude better than the results obtained using the previous formula, and that the contributions of the small quantity Hυto the high-lying rovibrational energies and the transitional lines are shown to be important.%本文在孙卫国等建立的预测双原子分子高转动激发态的振转跃迁能谱的解析物理公式的基础上,增加了该公式推导时被省略的高阶转动项Hυ对能级的贡献,获得了包含此高阶小项的预测双核体系高转动激发态的振转跃迁谱线的新表达式。使用该新公式对AuO分子P支发射跃迁光谱的研究表明:加入高阶转动常数Hυ后的新公式所预言的振转跃迁谱线的精度比不包含Hυ的公式给出的结果提高了约一个数量级。因此,更加有力地表明了使用多重差分法建立的这类物理公式在预言实验未给出的物理数据方面的正确性和有效性。
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