Energy bands, Compton profile, and optical conductivity of vanadium
- 15 January 1978
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 17 (2), 455-461
- https://doi.org/10.1103/physrevb.17.455
Abstract
A self-consistent calculation of energy bands in vanadium has been performed using the linear-combination-of-atomic-orbitals method. The basis contained 13 -type, ten -type, five -type, and one -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.
Keywords
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