Resonances close to the first ionization threshold of selenium

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Accounts of Chemical Research Pub Date : 2023-02-07 DOI:10.1080/00387010.2023.2175872

W. Liang, F. Jia, Xi Sheryl Zhang, Fei Wang, Yu-Han Wang, Qian-Yi Wang, Jianhui Zhu, Xin-Yi Wang, Z. Zhong

引用次数: 0

Abstract

Abstract Relativistic multichannel theory has been used to calculate the even-parity Rydberg states and odd-parity autoionizing (AI) Rydberg spectrum converging to the limit of second and third excited core states of selenium (Se), taking into account the ionic core dipole polarization effect caused by the Rydberg electron. Six even-parity Rydberg series and are calculated, along with AI Rydberg states converging to or in or symmetry. In general, there is less than a 0.05 difference between calculated and experimental quantum defects. The influence of the perturbers on quantum defects and peak profiles has all been investigated. The accuracy of our calculations allows us to provide a reliable the assignment of the measured AI Rydberg states and the accompanying total angular momentum.

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接近硒第一电离阈值的共振

利用相对论多通道理论计算了收敛于硒(Se)第二和第三激发态极限的偶宇称里德堡态和奇宇称自电离(AI)里德堡谱，并考虑了由里德堡电子引起的离子核偶极极化效应。计算了六个偶宇称里德伯级数，以及收敛于对称或对称的AI里德伯态。一般来说，计算出的量子缺陷与实验得到的量子缺陷之间的差异小于0.05。研究了微扰对量子缺陷和峰形的影响。我们计算的准确性使我们能够提供一个可靠的分配测量AI里德伯状态和伴随的总角动量。

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.