Electronic structure, optical and magnetic properties of fcc palladium

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Abstract
We report a self-consistent, all-electron, local-density-functional study of the electronic structure of paramagnetic fcc palladium. The linear combination of Gaussian orbitals method has been used. Associated with the band structure, we also present our results obtained for the density of states, Fermi surface, x-ray form factors, Compton profiles, and optical conductivity. In addition, we have investigated the magnetic-moment formation at expanded lattice constant by performing spin-polarized calculations. Our results are compared with experiments and with other calculations where possible.