Parametric fitting to 2pN3d configurations using orthogonal operators

Publisher Website
Google Scholar
Abstract
A recently introduced set of orthogonal operators for pNd configurations has been used to fit the experimental energy levels of the 2pN3d configurations in III and IV spectra of the first row elements. The 2p13d to 2p53d configurations have been considered and the isoionic development of the parameters is presented. The two-, three- and four-electron parameters include electrostatic configuration interaction effects to infinite order in perturbation theory and very small mean errors are obtained in the parametric fitting. The effect of the 2pN4s configurations which overlap the 3d configurations is included explicitly. Of the magnetic interactions, the spin-orbit interaction of the 2p electron is included in combination with an empirical correction for the magnetic interactions in the core. The fitted values of the two-electron parameters are compared with HF predictions. In an appendix, the matrix elements of the four-electron operators in p3d are given.