English

Electronic structure of Pu and Am metals by self consistent relativistic GW

Strongly Correlated Electrons 2015-06-03 v1

Abstract

We present the results of calculations for Pu and Am performed using an implementation of self-consistent relativistic GW method. The key feature of our scheme is to evaluate polarizability and self-energy in real space and Matsubara's time. We compare our GW results with the calculations using local density (LDA) and quasiparticle (QP) approximations and also with scalar-relativistic calculations. By comparing our calculated electronic structures with experimental data, we highlight the importance of both relativistic effects and effects of self-consistency in this GW calculation.

Keywords

Cite

@article{arxiv.1112.0214,
  title  = {Electronic structure of Pu and Am metals by self consistent relativistic GW},
  author = {A. Kutepov and K. Haule and S. Y. Savrasov and G. Kotliar},
  journal= {arXiv preprint arXiv:1112.0214},
  year   = {2015}
}

Comments

19 pages,10 figures