SMS92: a program for relativistic isotope shift calculations

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)