4.4 Article

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

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EPL
卷 77, 期 1, 页码 -

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IOP PUBLISHING LTD
DOI: 10.1209/0295-5075/77/17003

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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 delta-Pu, Am, and their selected compounds.

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