Fine Structure Intervals in Transition Elements

Abstract

A new formulation for the evaluation of the matrix elements of the spin-own orbit interaction in many-electron atoms has been applied to the evaluation of the interaction matrices for pN, dN, and fN configurations, using functions that are simultaneous eigenfunctions of the operators J2, L2,S2, and.Jz; the complete results are available as indicated in the text. Using this formulation, the fine structure intervals for the ground states of the neutral atoms and the first three positive ions of the elements of the three transition series have been calculated within the framework of the monoconfigurational approximation, including the electrostatic and spin-own orbit interaction between the states arising from the configuration under consideration. In each case, the spin–orbit parameter and the set of Slater–Condon integrals, obtained from the numerical Hartree–Fock function for the ground state, were used.