Multiplet Effects in the Electronic Structure of Delta-Pu, Am and their Compounds
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-Pu, Am, and their selected compounds.
SHICK A.B.;
KOLORENC J.;
HAVELA Ladislav;
DRCHAL V.;
GOUDER Thomas;
2007-02-22
EDP SCIENCES S A
JRC36733
https://publications.jrc.ec.europa.eu/repository/handle/JRC36733,
10.1209/0295-5075/77/17003,
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