Utilities for the Ratip package
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Abstract
During recent years, the Ratip package has been applied successfully for studying the behaviour and properties of open-shell atoms and ions within a relativistic framework. A series of case studies on the transition probabilities and lifetimes as well as for autoionization processes of different open-shell ions showed that it is possible today to make accurate predictions if all the dominant effects from relativity, correlation, and from the rearrangement of the electron density are treated o...
Title of program: UTILITIES
Catalogue Id: ADPD_v1_0
Nature of problem
In the framework of the RATIP package, a toolbox supports a variety of (smaller) tasks. It facilitates, for example, the file and data handling in large-scale applications or the interpretation of complex spectra.
Versions of this program held in the CPC repository in Mendeley Data
ADPD_v1_0; UTILITIES; 10.1016/S0010-4655(01)00400-3
ADPD_v2_0; UTILITIES (version 2); 10.1016/j.cpc.2006.04.010
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
摘要:近年来,Ratip软件包在相对论框架下研究开壳原子和离子的行为及性质方面取得了成功应用。一系列关于不同开壳离子跃迁概率、寿命以及自电离过程的案例研究显示,若相对论、相关性以及电子密度重排等主导效应得到妥善处理,今日已可作出精确预测。
程序名称:实用工具
目录编号:ADPD_v1_0
问题性质:在Ratip软件包的框架内,一个工具箱支持多种(较小规模)的任务。例如,它简化了大规模应用中的文件和数据管理,或复杂光谱的解释。
Mendeley数据中CPC仓库中保存的此程序版本:
ADPD_v1_0;实用工具;10.1016/S0010-4655(01)00400-3
ADPD_v2_0;实用工具(第二版);10.1016/j.cpc.2006.04.010
此程序已从贝尔法斯特女王大学的CPC程序库导入(1969-2019)。
提供机构:
doi.org



