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A self-consistent calculation of energy bands in vanadium has been performed using the linear-combination-of-atomic-orbitals method. The basis contained 13 s-type, ten p-type, five d-type, and one f-type Gaussian orbitals. A local exchange potential of the Kohn-Sham form was included. Results are presented for the band structure, density of states, Compton profile, and optical conductivity.
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Laurent et al. (1978) studied this question.
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