English

Multiplet effects in the electronic structure of $\delta$-Pu, Am and their compounds

Materials Science 2024-08-05 v1 Strongly Correlated Electrons

Abstract

We propose a straightforward and efficient procedure to perform dynamical mean-field (DMFT) calculations on the top of the static mean-field LDA+U approximation. Starting from self-consistent LDA+U ground state we included multiplet transitions using the Hubbard-I approximation, which yields a very good agreement with experimental photoelectron spectra of δ\delta-Pu, Am, and their selected compounds.

Keywords

Cite

@article{arxiv.cond-mat/0610794,
  title  = {Multiplet effects in the electronic structure of $\delta$-Pu, Am and their compounds},
  author = {Alexander Shick and Jindřich Kolorenč and Ladislav Havela and Václav Drchal and Thomas Gouder},
  journal= {arXiv preprint arXiv:cond-mat/0610794},
  year   = {2024}
}

Comments

submitted to Europhysics Letters