{"title":"Determination of electronic resonances by analytic continuation using barycentric formula","authors":"Roman Čurík , Jiří Horáček","doi":"10.1016/j.cpc.2024.109379","DOIUrl":null,"url":null,"abstract":"<div><p>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.</p></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"306 ","pages":"Article 109379"},"PeriodicalIF":7.2000,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computer Physics Communications","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0010465524003023","RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS","Score":null,"Total":0}
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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.
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.
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