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|Title:||Multiplet Effects in the Electronic Structure of Delta-Pu, Am and their Compounds|
|Authors:||SHICK A.b.; KOLORENC J.; HAVELA Ladislav; DRCHAL V.; GOUDER THOMAS|
|Citation:||EUROPHYSICS LETTERS vol. 77 no. 1 p. 17003-1-5|
|Publisher:||EDP SCIENCES S A|
|Type:||Articles in periodicals and books|
|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 Directorate:||Nuclear Safety and Security|
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