{"title":"The qspec Python package: A physics toolbox for laser spectroscopy","authors":"P. Müller , W. Nörtershäuser","doi":"10.1016/j.cpc.2025.109550","DOIUrl":null,"url":null,"abstract":"<div><div>The analysis of experimental results with Python often requires writing many code scripts which all need access to the same set of functions. In a common field of research, this set will be nearly the same for many users. The <span>qspec</span> Python package was developed to provide functions for physical formulas, simulations and data analysis routines widely used in laser spectroscopy and related fields. Most functions are compatible with <span>numpy</span> arrays, enabling fast calculations with large samples of data. A multidimensional linear regression algorithm enables a King plot analyses over multiple atomic transitions. A modular framework for constructing lineshape models can be used to fit large sets of spectroscopy data. A simulation module within the package provides user-friendly methods to simulate the coherent time-evolution of atoms in electromagnetic fields without the need to explicitly derive a Hamiltonian.</div></div>","PeriodicalId":285,"journal":{"name":"Computer Physics Communications","volume":"311 ","pages":"Article 109550"},"PeriodicalIF":7.2000,"publicationDate":"2025-02-20","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/S0010465525000530","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}
引用次数: 0
Abstract
The analysis of experimental results with Python often requires writing many code scripts which all need access to the same set of functions. In a common field of research, this set will be nearly the same for many users. The qspec Python package was developed to provide functions for physical formulas, simulations and data analysis routines widely used in laser spectroscopy and related fields. Most functions are compatible with numpy arrays, enabling fast calculations with large samples of data. A multidimensional linear regression algorithm enables a King plot analyses over multiple atomic transitions. A modular framework for constructing lineshape models can be used to fit large sets of spectroscopy data. A simulation module within the package provides user-friendly methods to simulate the coherent time-evolution of atoms in electromagnetic fields without the need to explicitly derive a Hamiltonian.
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.