Abstract
We present the results of calculations for Pu and Am performed using an implementation of a self-consistent fully relativistic method. The key feature of our scheme is to evaluate polarizability and self-energy in real space and Matsubara's time. We compare our results with the calculations using local density and quasiparticle approximations and also with scalar-relativistic calculations. We highlight the importance of both relativistic effects and effects of self-consistency in calculation for Am and Pu. We also have found that enhances the hybridization between and states in Pu, suggesting that the physics of Pu should not be understood based only on electrons.
13 More- Received 1 December 2011
DOI:https://doi.org/10.1103/PhysRevB.85.155129
©2012 American Physical Society