XANES Determination of Intraatomic Potentials

A new scheme has been developed for determining the parameters of the local one-electron potential in molecules and solids. The scheme is based on interpretation of the experimental X-ray absorption near edge struucture. The scheme is an extension of the method for solving the inverse problem of XANES theory suggested by one of the authors. In this scheme, oscillator strengths and maximum heights are considered along with the energy and half-width of spectral maxima. The scheme is used for determining the intraatomic potential in the nitrogen molecule.