Multiplet effects in the electronic structure of δ-Pu, Am and their compounds
Alexander Shick, Jindřich Kolorenč, Ladislav Havela, Václav Drchal, Thomas Gouder
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.
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