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Hyperfine structure parametrisation in Maple

机译:Maple中的超精细结构参数化

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In hyperfine structure examinations, routine high resolution spectroscopy methods have to be combined with exact fine structure calculations. The so-called magnetic A and electric B factor of the fine structure levels allow to check for a correct fine structure analysis, to find errors in the level designation, to find new levels and to probe the electron wavefunctions and its mixing coefficients. This is done by parametrisation of these factors into different contributions of the subshell electrons, which are split further into their radial and spin-angular part. Due to the routine with which hyperfine structure measurements are done, a tool for keeping the necessary information together, performing checks online with the experiment and deriving standard quantities is of great help. MAPLE [Maple is a registered trademark of Waterloo Maple Inc.] is a highly developed symbolic programming language, often referred to as the pocket calculator of the future. Packages for theoretical atomic calculation exist (RACAH and JUCYS) and the language meets all the requirements to keep and present information accessible for the user in a fast and practical way. We slightly extended the RACAH package [S. Fritzsche, Comput. Phys. Comm. 103 (1997) 51] and set up an environment for experimental hyperfine structure calculations, the HFS package. Supplying the fine structure and nuclear data, one is in the position to obtain information about the hyperfine spectrum, the different contributions to the splitting and to perform a least square fit of the radial parameters based on the semiempirical method. Experimentalist as well as theoretical physicist can do a complete hyperfine structure analysis using MAPLE.
机译:在超精细结构检查中,常规的高分辨率光谱方法必须与精确的精细结构计算相结合。精细结构能级的所谓的磁A和电B因子允许检查正确的精细结构分析,发现能级指定中的错误,寻找新的能级以及探测电子波函数及其混合系数。这是通过将这些因素参数化为子壳电子的不同贡献而完成的,这些子壳电子进一步分为径向和自旋角部分。由于要进行超精细结构测量,因此将必要的信息保持在一起,在线进行实验检查并得出标准量的工具很有帮助。 MAPLE [Maple是Waterloo Maple Inc.的注册商标]是一种高度发展的符号编程语言,通常被称为未来的袖珍计算器。存在用于理论原子计算的软件包(RACAH和JUCYS),并且该语言满足了以快速,实用的方式保留和呈现供用户访问的信息的所有要求。我们稍微扩展了RACAH软件包[S. Fritzsche,计算机。物理通讯103(1997)51],并建立了用于实验超精细结构计算的环境,即HFS软件包。提供精细的结构和核数据后,便可以根据半经验方法获得有关超精细光谱的信息,对分裂的不同贡献并执行径向参数的最小二乘拟合。实验人员和理论物理学家都可以使用MAPLE进行完整的超精细结构分析。

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