HIGH-PRECISION CALCULATION OF ODD IRON-GROUP SYSTEMS WITH ORTHOGONAL OPERATORS

A parametric description of the 3d(N)4p configurations in the IV to VI spectra of the iron sequence with orthogonal operators is reported. C ompared to earlier calculations, deviations between calculated eigenva lues and experimental energies are reduced by an order of magnitude an d approach experimental error bars. The claim that the fits are physic ally meaningful is supported by the regular behaviour of the parameter s among neighbouring ions and associated 3d(N) cores, as well as by co mparison with ab initio calculated values.