Title: Multiplet Effects in the Electronic Structure of Delta-Pu, Am and their Compounds
Authors: SHICK A.b.KOLORENC J.HAVELA LadislavDRCHAL V.GOUDER THOMAS
Citation: EUROPHYSICS LETTERS vol. 77 no. 1 p. 17003-1-5
Publisher: EDP SCIENCES S A
Publication Year: 2007
JRC Publication N°: JRC36733
URI: http://publications.jrc.ec.europa.eu/repository/handle/JRC36733
DOI: 10.1209/0295-5075/77/17003
Type: Articles in Journals
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-Pu, Am, and their selected compounds.
JRC Institute:Institute for Transuranium Elements

Files in This Item:
There are no files associated with this item.


Items in repository are protected by copyright, with all rights reserved, unless otherwise indicated.