A data- and model-driven strategy for the evaluation of the experimental transition lines: Theoretical prediction for the ground state of 12C16O.
A data- and model-driven strategy for the evaluation of the experimental transition lines: Theoretical prediction for the ground state of 12C16O.
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用于评估实验转变线的数据和模型驱动策略：12C16O 基态的理论预测。
DOI：
10.1016/j.saa.2021.120278
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发表时间：
2021
期刊：
影响因子：
--
通讯作者：
F. Xie
中科院分区：
文献类型：
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作者：
Zhixiang Fan;Jie He;Zhizhang Ni;Qunchao Fan;Jia Fu;Y. Xu;Hui;Jie Ma;F. Xie
本文用差分代数方法(DAA)模型建立了一个将Herzberg表达式的分子常数与实验跃迁线联系起来的解析公式。基于数据驱动策略，DAA模型能够处理实验跃迁线背后的微小不确定性，并将其应用于12C16O基电子态的一些第一泛音带的P分支发射光谱。该关系可用于生成足够精确的跃迁线，从与HITRAN数据库、Velichko数据、Goorvitch数据和量子力学数据的高J一致性中可见一斑。此外，还报道了这些谱线的谱线强度、吸收振子强度和爱因斯坦-A系数，这些谱线的引入是为了增强数据集，并与其他作者的结果很好地一致，以验证我们的结果。这些不同的对比结果表明，所提出的基于DAA模型的数据驱动策略有望成为一种依靠相对有限的数据进行训练的良好算法。
An analytical formula that relates the molecular constants of the Herzberg expression and experimental transition lines is developed herein with a difference algebraic approach (DAA) model. Based on the data-driven strategy, the DAA model is able to deal with the tiny uncertainties that exhibit behind the experimental transition lines, which is applied to the P branch emission spectra of some first overtone bands of the ground electronic state of 12 C 16 O. The relationship can be used to generate transition lines with sufficient accuracy, as evident from the high J of agreement with the HITRAN database, Velichko data, Goorvitch data and quantum–mechanical data. In addition, line intensities, absorption oscillator strengths and Einstein A coefficients of these lines, which are introduced to enhance the dataset and are in good agreement with those of other authors, are also reported to validate our results. These various comparative results show that the proposed data-driven strategy based on the DAA model is expecting to be a good algorithm that relies on relatively limited data for training.