Abstract
1. Basic concepts are presented on electron-spectrum calculation for crystalline substances using the GOLCAO method. 2. Detailed calculations are presented on the electron spectra of transition-metal diborides. 3. The calculations have been used to estimate electron structure parameters such as dissociation energy, atomic charge, electron-state filling, and statistical weights of atoms with stable electronic configurations. 4. There is a relationship between the trends in the properties of these compounds and the filling of the orbitals in the stable sp configurations of the boron atom and the d configurations of the metal atom.
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