Abstract

A new approach to parametrization of the valent states of atoms in molecules and solids, facilitating interpretation of soft X-ray absorption spectra (XANES), is suggested. It is shown that the energies and half-widths of the experimental one-electron maxima in XANES depend on the mutual arrangement of atoms and on the energies and the mean radii of the valent states of atoms. These quantities, having a clear physical sense, are readily determined from XANES. A determination procedure avoiding the construction of intraatomic potentials has been worked out. The energies and the mean radii of the valent states of nitrogen and oxygen atoms were obtained for some compounds.

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