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Uncertainties associated with theoretically calculated N _2-broadened half-widths of H_2O lines

机译:与H_2O线的理论计算的N _2扩展半宽度相关的不确定性

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With different choices of the cut-offs used in theoretical calculations, we have carried out extensive numerical calculations of the N_2-broadend Lorentzian half-widths of the H_2O lines using the modified Robert-Bonamy formalism. Based on these results, we are able to thoroughly check for convergence. We find that, with the low-order cut-offs commonly used in the literature, one is able to obtain converged values only for lines with large half-widths. Conversely, for lines with small half-widths, much higher cut-offs are necessary to guarantee convergence. We also analyse the uncertainties associated with calculated half-widths, and these are correlated as above. In general, the smaller the half-widths, the poorer the convergence and the larger the uncertainty associated with them. For convenience, one can divide all H _2O lines into three categories, large, intermediate, and small, according to their half-width values. One can use this division to judge whether the calculated half-widths are converged or not, based on the cut-offs used, and also to estimate how large their uncertainties are. We conclude that with the current Robert-Bonamy formalism, for lines in category 1 one can achieve the accuracy requirement set by HITRAN, whereas for lines in category 3, it is impossible to meet this goal.
机译:在理论计算中使用不同的截止值选择时,我们使用改进的Robert-Bonamy形式主义对H_2O线的N_2宽洛伦兹半宽度进行了广泛的数值计算。根据这些结果,我们能够彻底检查收敛性。我们发现,利用文献中常用的低阶截止值,人们仅能获得具有大半角宽度的线的收敛值。相反,对于半宽度较小的线,必须有更高的截止值才能保证收敛。我们还分析了与计算出的半角宽度相关的不确定性,这些不确定性如上所述。通常,半角宽度越小,收敛性越差,不确定性越大。为方便起见,可以将所有H _2O线根据其半角宽度值分为三类,即大,中和小。可以使用此除法基于所使用的截止值来判断计算出的半角宽度是否收敛,并可以估计其不确定性。我们得出结论,使用当前的Robert-Bonamy形式主义,对于类别1的行可以达到HITRAN设定的精度要求,而对于类别3的行则无法实现此目标。

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