Determination of electronic resonances by analytic continuation using barycentric formula

IF 7.2 2区物理与天体物理 Q1 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS

Computer Physics Communications Pub Date : 2024-09-13 DOI:10.1016/j.cpc.2024.109379

Roman Čurík , Jiří Horáček

引用次数: 0

Abstract

Numerical analytical continuation of a function is used to determine its complex roots. The analytical continuation is carried out by means of a barycentric formula. From the knowledge of the complex roots the energy and width of shape resonances as well as of quantum virtual states can be determined. The roots are calculated for several realistic models and the results are compared with other approaches. We also explore and discuss a stability of the predicted resonant roots with respect to changes of the perturbation potential.

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利用重心公式的解析延续确定电子共振

函数的数值解析延续用于确定其复根。分析延续是通过重心公式进行的。根据对复根的了解，可以确定形状共振以及量子虚拟态的能量和宽度。我们计算了几个现实模型的复根，并将结果与其他方法进行了比较。我们还探讨和讨论了预测的共振根随扰动势变化而变化的稳定性。

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

Computer Physics Communications 物理-计算机：跨学科应用

CiteScore

12.10

自引率

3.20%

发文量

287

审稿时长

5.3 months

期刊介绍： The focus of CPC is on contemporary computational methods and techniques and their implementation, the effectiveness of which will normally be evidenced by the author(s) within the context of a substantive problem in physics. Within this setting CPC publishes two types of paper. Computer Programs in Physics (CPiP) These papers describe significant computer programs to be archived in the CPC Program Library which is held in the Mendeley Data repository. The submitted software must be covered by an approved open source licence. Papers and associated computer programs that address a problem of contemporary interest in physics that cannot be solved by current software are particularly encouraged. Computational Physics Papers (CP) These are research papers in, but are not limited to, the following themes across computational physics and related disciplines. mathematical and numerical methods and algorithms; computational models including those associated with the design, control and analysis of experiments; and algebraic computation. Each will normally include software implementation and performance details. The software implementation should, ideally, be available via GitHub, Zenodo or an institutional repository.In addition, research papers on the impact of advanced computer architecture and special purpose computers on computing in the physical sciences and software topics related to, and of importance in, the physical sciences may be considered.