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为NaCs的10(0)[4Π]电子态拟合一条实验势能曲线。

Fitting an experimental potential energy curve for the 10(0)[4Π] electronic state of NaCs.

作者信息

Steely Andrew, Myers Rachel L, Kortyna Andrew, Huennekens John, Malenda R F, Faust Carl

机构信息

Department of Physics, Susquehanna University, 514 University Ave., Selinsgrove, Pennsylvania 17870, USA.

Department of Physics and Earth Science, Moravian College, 1200 Main St., Bethlehem, Pennsylvania 18018, USA.

出版信息

J Chem Phys. 2019 Jul 14;151(2):024307. doi: 10.1063/1.5100748.

DOI:10.1063/1.5100748
PMID:31301720
Abstract

We present experimentally determined potential energy curves for the 10(0)[4Π] electronic state of NaCs. The 10(0)[4Π] state exhibits a double-minimum structure, resulting in a distinctive bound-free fluorescence signature. The perturbation facilitated optical-optical double resonance method was used to obtain Doppler-free excitation spectra corresponding to rovibrational transitions to the 10(0)[4Π] state. Spectroscopic constants were determined to summarize data belonging to inner well, outer well, and above the barrier regions of the electronic state. The Rydberg-Klein-Rees and inverted perturbation approach methods were used to construct a potential which reproduces the experimental rovibrational energies within a root-mean-square deviation of 2.33 cm. An alternative to the pointwise potential approach was also used to determine the potential energy curve by directly fitting an expanded Morse oscillator functional form. Advantages between the two approaches as they apply to double minimum wells are discussed.

摘要

我们展示了通过实验测定的NaCs的10(0)[4Π]电子态的势能曲线。10(0)[4Π]态呈现出双阱结构,产生独特的束缚-自由荧光特征。采用微扰辅助光学-光学双共振方法获得了与到10(0)[4Π]态的振转跃迁相对应的无多普勒激发光谱。确定了光谱常数以总结属于该电子态内阱、外阱及势垒以上区域的数据。使用里德堡-克莱因-里斯方法和逆微扰方法构建了一个势能,该势能在均方根偏差为2.33厘米的范围内再现了实验振转能量。还使用了一种替代逐点势能方法,通过直接拟合扩展的莫尔斯振子函数形式来确定势能曲线。讨论了这两种方法在应用于双阱时的优势。

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