General analysis of the multiplet structure of the first lines in the L absorption spectra of the central atom in molecules of Oh symmetry. Closed shells

Abstract

A second-quantization method has been used to construct the wave functions belonging to the irreducible representations of the O/sub h/ symmetry group for the final states of the L x-ray absorption transitions of the central atom in octahedral molecules. The matrix elements of the Hamiltonian have been expressed in terms of radial integrals similar to the Slater-Condon parameters in atoms. Characteristic examples of the contours of the absorption lines obtained for specific values of the radial integrals have been presented. The great role of the configuration interaction which, in particular, causes significant changes in the intensity ratios in the spin-orbit doublets in the L absorption spectra of third-row atoms, has been demonstrated.