FIRST-PRINCIPLES STUDIES ON THE ELECTRONIC STRUCTURE OF
The electronic band structure of has been studied using the self-consistent full-potential non orthogonal local-orbital minimum-basis scheme based on the density functional theory. We also investigated the electronic structure with the spin-orbit interaction to obtain the correct ground state of The fully relativistic band structure scheme shows that spin-orbit coupling splits the 4f states into two manifolds.
CePd3, electronic structure.
