Investigating empirical and theoretical calculations for intensity ratios of L-Shell X-ray transitions in atoms with 39 ≤ Z ≤ 94

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Accounts of Chemical Research Pub Date : 2024-07-20 DOI:10.1016/j.elspec.2024.147473

A. Zidi , A. Kahoul , J.P. Marques , S. Daoudi , J.M. Sampaio , F. Parente , A. Hamidani , S. Croft , A. Favalli , Y. Kasri , K. Amari , B. Berkani

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Abstract

The significance of theoretical, experimental, and analytical methods in calculating the intensity ratios of L-shell transitions for diverse elements lies in their widespread applications across various domains, including physical chemistry and medical research. In the present paper, empirical values for intensity ratios were computed through polynomial interpolations using experimental databases within the scope of atomic number 39 ≤ Z ≤ 92 for $\frac{I_{L β}}{I_{L α}}$ and $\frac{I_{L γ}}{I_{L α}}$ , and extending to the range of 39 ≤ Z ≤ 94 for $\frac{I_{Ll}}{I_{L α}}$ . Additionally, new theoretical calculations were conducted using the Multiconfiguration Dirac–Fock Method for specific elements. The obtained results were compared with standard theoretical, experimental, and empirical values, showing a reasonable agreement with them.

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研究 39 ≤ Z ≤ 94 原子 L 壳 X 射线跃迁强度比的经验计算和理论计算

计算各种元素 L 壳跃迁强度比的理论、实验和分析方法的意义在于它们在物理化学和医学研究等各个领域的广泛应用。本文利用实验数据库，在原子序数为 39 ≤ ≤ 92 的范围内，通过多项式内插法计算出了强度比的经验值，并扩展到原子序数为 39 ≤ ≤ 94 的范围。此外，还使用多配置狄拉克-福克方法对特定元素进行了新的理论计算。所获得的结果与标准理论值、实验值和经验值进行了比较，结果表明两者之间存在合理的一致性。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Accounts of Chemical Research 化学-化学综合

CiteScore

31.40

自引率

1.10%

发文量

312

审稿时长

2 months

期刊介绍： Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.