Multiplet effects in the electronic structure of $δ$-Pu, Am and their compounds
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arXiv
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| Auteurs principaux: | , , , , |
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| Format: | Preprint |
| Publié: |
2006
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| _version_ | 1866913456461971456 |
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| author | Shick, Alexander Kolorenč, Jindřich Havela, Ladislav Drchal, Václav Gouder, Thomas |
| author_facet | Shick, Alexander Kolorenč, Jindřich Havela, Ladislav Drchal, Václav Gouder, Thomas |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_cond_mat_0610794 |
| institution | arXiv |
| publishDate | 2006 |
| record_format | arxiv |
| spellingShingle | Multiplet effects in the electronic structure of $δ$-Pu, Am and their compounds Shick, Alexander Kolorenč, Jindřich Havela, Ladislav Drchal, Václav Gouder, Thomas Materials Science Strongly Correlated Electrons 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. |
| title | Multiplet effects in the electronic structure of $δ$-Pu, Am and their compounds |
| topic | Materials Science Strongly Correlated Electrons |
| url | https://arxiv.org/abs/cond-mat/0610794 |