Abstract

In spite of some successes of one-electron spin-polarized band structure calculations to describe the electron structure of high-To superconductors and 3d metal magnetic monoxides as a whole, they do not reproduce band gap values and underestimate values of local magnetic moments. The comparison of such calculations with XPS and UPS data shows that a discrepancy of about 1-2 eV is observed in respect of position of valence band about Fermi level. It is asserted that one-particle band structure theory is not applicable to the analysis of electron structure and magnetic properties of the compounds with strong electron-electron correlation. In this connection the attempt of a rehabilitation of one-electron band structure methods for such purposes is of great interest.

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