Revised and extended Utilities for the Ratip package

Published: 1 September 2006| Version 1 | DOI: 10.17632/dxppgfthzt.1
Contributors:
Juha Nikkinen,
S. Fritzsche,
S. Heinäsmäki

Description

Abstract During the last years, the Ratip package has been found useful for calculating the excitation and decay properties of free atoms. Based on the (relativistic) multiconfiguration Dirac–Fock method, this program is used to obtain accurate predictions of atomic properties and to analyze many recent experiments. The daily work with this package made an extension of its Utilities [S. Fritzsche, Comput. Phys. Comm. 141 (2001) 163] desirable in order to facilitate the data handling and interpretation... Title of program: UTILITIES (version 2) Catalogue Id: ADPD_v2_0 Nature of problem In order to describe atomic excitation and decay properties also quantitatively, large-scale computations are often needed. In the framework of the RATIP package, the UTILITIES support a variety of (small) tasks. For example, these tasks facilitate the file and data handling in large-scale applications or in 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)

Files