Elsevier, Computer Physics Communications, 11-12(175), p. 738-744
DOI: 10.1016/j.cpc.2006.07.023
Full text: Unavailable
The GRASP92 package is a suite of programs for atomic structure calculations based on Dirac–Hartree–Fock theory. In this paper we report corrections that concern three issues. Corrections to a logical error are reported that affect extended optimal level (EOL) calculations important for correlation studies. The removal of a limitation on diagonal energy parameters is recommended for correlation orbitals. Another correction removes an error in the evaluation of one-electron matrix elements for tensors of rank greater than zero. This error affects electric quadrupole (E2) transition probabilities, off-diagonal hyperfine parameters, and quadrupole moments.