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

Details Multiplet effects in the electronic structure of $δ$-Pu, Am and their compounds Multiplet effects in the electronic structure of $δ$-Pu, Am and their compounds

2006-10-28

arxiv.org/abs/cond-mat/0610794v1

Europhysics Letters 77, 17003 (2007).

Physics

Condensed Matter

Materials Science

submitted to Europhysics Letters

Scientific paper

10.1209/0295-5075/77/17003

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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