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Generalization of the Formalism of Pearson Curves in the Problems of Approximation of Profiles of Continuous Bands in Electronic Spectra of Molecules

机译:分子电子谱中连续谱带近似问题中皮尔逊曲线形式主义的推广

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摘要

A solution of the differential equation d ln (x) / dx = Pk(x) / Qn(x), where Pk(x) and Qn(x) are poly-nomials of orders k and n, respectively, whose coefficients are expressed in terms of the function (x) as a solution of the system of linear algebraic equations is proposed to be used for the approximation of the profiles of continuous bands of optical electronic transitions of molecules considered as a particular case of the general concept of the probability density function (x). The approach proposed is a generalization of a well-known formalism of the Pearson curves and differs from it in the possibility for successive refinement of the result by way of involving the entire series of moments accessible, as well as the possibility for its application to profiles with a clearly defined structure. The potentials of the new method are studied by using numerical examples.
机译:微分方程d ln(x)/ dx = Pk(x)/ Qn(x)的解,其中Pk(x)和Qn(x)分别是k阶和n阶多项式,其系数表示为根据函数(x)作为线性代数方程组系统的解决方案,建议将其用作分子的光学电子跃迁的连续谱带的近似,这被视为概率一般概念的特殊情况密度函数(x)。所提出的方法是对Pearson曲线的一种公知形式的概括,与之不同之处在于,它可以通过涉及可访问的整个矩序列来连续精炼结果的可能性,以及将其应用于轮廓的可能性具有明确定义的结构。通过数值算例研究了该新方法的潜力。

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