The grasp2K relativistic atomic structure package
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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)
创建时间：
2007-10-01
