English

GW quasiparticle calculations with spin-orbit coupling for the light actinides

Strongly Correlated Electrons 2014-05-15 v2

Abstract

We report on the importance of GW self-energy corrections for the electronic structure of light actinides in the weak-to-intermediate coupling regime. Our study is based on calculations of the band structure and total density of states of Np, U, and Pu using a one-shot GW approximation that includes spin-orbit coupling within a full potential LAPW framework. We also present RPA screened effective Coulomb interactions for the f-electron orbitals for different lattice constants, and show that there is an increased contribution from electron-electron correlation in these systems for expanded lattices. We find a significant amount of electronic correlation in these highly localized electronic systems.

Keywords

Cite

@article{arxiv.1309.4110,
  title  = {GW quasiparticle calculations with spin-orbit coupling for the light actinides},
  author = {Towfiq Ahmed and R. C. Albers and A. V. Balatsky and C. Friedrich and Jian-Xin Zhu},
  journal= {arXiv preprint arXiv:1309.4110},
  year   = {2014}
}

Comments

Accepted and to appear in Phys. Rev. B

R2 v1 2026-06-22T01:28:18.167Z