Relativistic calculation of specific mass shifts for Ar \u3c sup\u3e + \u3c/sup\u3e, Ni, Kr \u3c sup\u3e + \u3c/sup\u3e, and Ce \u3c sup\u3e + \u3c/sup\u3e using a multi-configuration Dirac-Fock approach

An extension of the GRASP2 multi-configuration Dirac-Fock (MCDF) program for calculation of the specific mass shift (SMS) is described. The various modes (average level, optimal level, etc.) for achieving an approximate wavefunction, and their impact on the relativistic SMS values, are explored. Comparisons are made with other theoretical SMS values as well as with experiment for Ar+, Ni, Kr+, and Ce+ with new results reported for each atom. © 1995