The grasp2K relativistic atomic structure package

Published: 01-10-2007| Version 1 | DOI: 10.17632/mrd4bnjymf.1
P. Jönsson,
X. He,
C. Froese Fischer,
I.P. Grant


Abstract This paper describes grasp2K, a general-purpose relativistic atomic structure package. It is a modification and extension of the GRASP92 package by [F.A. Parpia, C. Froese Fischer, I.P. Grant, Comput. Phys. Comm. 94 (1996) 249]. For the sake of continuity, two versions are included. Version 1 retains the GRASP92 formats for wave functions and expansion coefficients, but no longer requires preprocessing and more default options have been introduced. Modifications have eliminated some errors, i... Title of program: grasp2K Catalogue Id: ADZL_v1_0 Nature of problem Prediction of atomic spectra - atomic energy levels, oscillator strengths, and radiative decay rates - using a 'fully relativistic' approach. Versions of this program held in the CPC repository in Mendeley Data ADZL_v1_0; grasp2K; 10.1016/j.cpc.2007.06.002 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)