HFSZEEMAN—A program for computing weak and intermediate field fine and hyperfine structure Zeeman splittings from MCDHF wave functions
Description
Abstract Given electronic wave functions generated by the grasp2K relativistic atomic structure package, this program calculates diagonal magnetic dipole A_Jand electric quadrupole B_Jhyperfine interaction constants and Landé g_Jfactors. In addition the program computes diagonal and off-diagonal reduced hyperfine and Zeeman matrix elements and constructs the total interaction matrix for an atom in an external magnetic field. By diagonalizing the interaction matrix and plotting eigenvalues as fun... Title of program: HFSZEEMAN Catalogue Id: ADZS_v1_0 Nature of problem Prediction of weak and intermediate field Zeeman splittings of fine- and hyperfine structure levels using multiconfiguration Dirac-Hartree-Fock wave functions. Versions of this program held in the CPC repository in Mendeley Data ADZS_v1_0; HFSZEEMAN; 10.1016/j.cpc.2007.07.014 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)