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

被引：50

作者：

Shick, A.

Kolorenc, J.

Havela, L.

Drchal, V.

Gouder, T.

机构：

[1] Acad Sci Czech Republ, Inst Phys, CZ-18221 Prague, Czech Republic

[2] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA

[3] Charles Univ Prague, Fac Math & Phys, Dept Condensed Matter Phys, CZ-12116 Prague, Czech Republic

[4] Commiss European Communities, Joint Res Ctr, Inst Transuranium Elements, D-76125 Karlsruhe, Germany

来源：

EPL | 2007年 / 77卷 / 01期

关键词：

D O I：

10.1209/0295-5075/77/17003

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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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页数：5

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