SMS92: a program for relativistic isotope shift calculations

2019-12-06T07:40:41Z (GMT) by P Jönsson C Froese Fischer
Abstract The energy levels of an atomic system are affected both by nuclear motion and volume effects. Given a fully relativistic four-component wavefunction generated by the GRASP92 multiconfiguration Dirac-Fock package, this program calculates the electron density at the nucleus and the normal and specific mass shift parameters. Combining these electronic quantities with avaialable nuclear data, isotope dependent energy level shifts can be determined. Title of program: SMS92 Catalogue Id: ADEK_v1_0 Nature of problem Prediction of level and transition isotope shifts in atoms using four- component relativistic wavefunctions. Versions of this program held in the CPC repository in Mendeley Data ADEK_v1_0; SMS92; 10.1016/S0010-4655(96)00118-X ADEK_v2_0; RIS3; 10.1016/j.cpc.2013.02.015 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)