New version: Grasp2K relativistic atomic structure package

Published: 01-09-2013| Version 1 | DOI: 10.17632/2sf4t5tkvm.1
P. Jönsson,
G. Gaigalas,
J. Bieroń,
C. Froese Fischer,
I.P. Grant


Abstract A revised version of Grasp2K [P. Jönsson, X. He, C. Froese Fischer, I.P. Grant, Comput. Phys. Commun. 177 (2007) 597] is presented. It supports earlier non-block and block versions of codes as well as a new block version in which the njgraf library module [A. Bar-Shalom, M. Klapisch, Comput. Phys. Commun. 50 (1988) 375] has been replaced by the librang angular package developed by Gaigalas based on the theory of [G. Gaigalas, Z.B. Rudzikas, C. Froese Fischer, J. Phys. B: At. Mol. Phys. 30 (19... Title of program: Grasp2K, version 1_1 Catalogue Id: ADZL_v1_1 Nature of problem Prediction of atomic properties - atomic energy levels, oscillator strengths, radiative decay rates, hyperfine structure parameters, Landé gJ-factors, and specific mass shift parameters - using a multiconfiguration Dirac-Hartree-Fock approach. Versions of this program held in the CPC repository in Mendeley Data ADZL_v1_1; Grasp2K, version 1_1; 10.1016/j.cpc.2013.02.016 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)