Two-program package to calculate the ground and excited state wave functions in the Hartree—Fock—Dirac approximation

Abstract
Algorithms and computer codes to calculate the ground and excited (discrete and continuum) state wave functions of many-electron atoms and ions, including those containing positive/negative muons, in the Hartree—Fock—Dirac (HFD) approximation are reported. In contrast to the usual technique, the system of 2S self-consistent first order integro-differential equations of the HFD is solved by reducing it first to a system of S second order ones. The latter is then treated numerically by means of...

Title of program: RSCFHF AND RFCHF
Catalogue Id: ADJZ_v1_0

Nature of problem
Description of atomic spectra - discrete atomic energy levels, total energy of an atom/ion, and phase shifts of continuum spectrum single- particle atomic wave functions - using a "fully relativistic" approach.

Versions of this program held in the CPC repository in Mendeley Data
ADJZ_v1_0; RSCFHF AND RFCHF; 10.1016/S0010-4655(98)00197-0

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)