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

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 $\delta$-Pu, Am, and their selected compounds.

arXiv commentsubmitted to Europhysics Letters

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Cited by in corpus (11)

• Nature of the 5f states in actinide metals
• Magnetic Moment Collapse-Driven Mott Transition in MnO
• Site-Selective Electronic Correlation in alpha-Plutonium Metal
• Spectral Properties of delta-Plutonium: Sensitivity to 5f Occupancy
• Valence Fluctuations and Quasiparticle Multiplets in Pu Chalcogenides and Pnictides
• Electronic structure and spectral properties of Am, Cm and Bk: Charge density self-consistent LDA+HIA calculations in FP-LAPW basis
• Nature of the 5$f$ electronic structure of plutonium
• X-ray absorption branching ratio in actinides: LDA+DMFT approach
• Dynamical mean field theory of correlated gap formation in Pu monochalcogenides
• First-principles study of the Kondo physics of a single Pu impurity in a Th host
• Coulomb correlation in presence of spin-orbit coupling: application to plutonium