Abstract
Electronic structure of the fragments (number of atoms from 6 to 93) of hexagonal close-packed and face-centered cubic structures of technetium metal was calculated in the approximation of the Xα-discrete variation nonempirical method. The results agree well with band calculations of both occupied and unoccupied electronic states in solid Tc as well as with the experimental data of conversion electron and optical spectroscopy. The quantum chemical model can be used for calculations of technetium-ruthenium binary phases which can be formed in the course of transmutation of technetium metal.
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