184 citations · 822 across the 33 of their papers we have counts for
14 papers · 1 filter
Electronic Correlation Induced Expansion of Compensated Electron and Hole Fermi Pockets in delta-Plutonium
Roxanne Tutchton, Wei-ting Chiu, R. C. Albers +2
Plutonium is a critically important material as the behavior of its 5f-electrons stands midway between the metallic-like itinerant character of the light actinides and localized at…
First-principles study of the Kondo physics of a single Pu impurity in a Th host
Jian-Xin Zhu, R. C. Albers, K. Haule +1
Based on its condensed-matter properties, crystal structure, and metallurgy, which includes a phase diagram with six allotropic phases, plutonium is one of the most complicated pur…
Site-Selective Electronic Correlation in alpha-Plutonium Metal
Jian-Xin Zhu, R. C. Albers, K. Haule +2
An understanding of the phase diagram of elemental plutonium (Pu) must include both the effects of the strong directional bonding and the high density of states of the Pu 5f electr…
GW quasiparticle calculations with spin-orbit coupling for the light actinides
Towfiq Ahmed, R. C. Albers, A. V. Balatsky +2
We report on the importance of GW self-energy corrections for the electronic structure of light actinides in the weak-to-intermediate coupling regime. Our study is based on calcula…
The Electronic Correlation Strength of Pu
A. Svane, R. C. Albers, N. E. Christensen +3
An electronic quantity, the correlation strength, is defined as a necessary step for understanding the properties and trends in strongly correlated electronic materials. As a test…
Electronic Structure and Correlation Effects in PuCoIn5 as compared to PuCoGa5
Jian-Xin Zhu, P. H. Tobash, E. D. Bauer +6
Since their discovery nearly a decade ago, plutonium-based superconductors have attracted considerable interest, which is now heightened by the latest discovery of superconductivit…
Hubbard-U Band-Structure Methods
R. C. Albers, N. E. Christensen, A. Svane
The last decade has seen a large increase in the number of electronic-structure calculations that involve adding a Hubbard term to the local density approximation band-structure Ha…
GW correlation effects on plutonium quasiparticle energies: changes in crystal-field splitting
A. N. Chantis, R. C. Albers, A. Svane +1
We present results for the electronic structure of plutonium by using a recently developed quasiparticle self-consistent method (\qsgw). We consider a paramagnetic solution wi…
Extended Recursion in Operator Space (EROS), a new impurity solver for the single impurity Anderson model
Jean-Pierre Julien, R. C. Albers
We have developed a new efficient and accurate impurity solver for the single impurity Anderson model (SIAM), which is based on a non-perturbative recursion technique in a space of…
Coulomb correlation in presence of spin-orbit coupling: application to plutonium
Jean-Pierre Julien, Jian-Xin Zhu, Robert C. Albers
Attempts to go beyond the local density approximation (LDA) of Density Functional Theory (DFT) have been increasingly based on the incorporation of more realistic Coulomb interacti…
Many-body Electronic Structure of Metallic alpha-Uranium
Athanasios N. Chantis, R. C. Albers, M. D. Jones +2
We present results for the electronic structure of alpha uranium using a recently developed quasiparticle self-consistent GW method (QSGW). This is the first time that the f-orbita…
Spectral Properties of delta-Plutonium: Sensitivity to 5f Occupancy
Jian-Xin Zhu, A. K. McMahan, M. D. Jones +4
By combining the local density approximation (LDA) with dynamical mean field theory (DMFT), we report a systematic analysis of the spectral properties of -plutonium with varying…
Equation-of-Motion Approach to Dynamical Mean Field Theory
Jian-Xin Zhu, R. C. Albers, J. M. Wills
We propose using an equation-of-motion approach as an impurity solver for dynamical mean field theory. As an illustration of this technique, we consider a finite- Hubbard model…
Unscreened Hartree-Fock calculations for metallic Fe, Co, Ni, and Cu from ab-initio Hamiltonians
I. Schnell, G. Czycholl, R. C. Albers
Unscreened Hartree-Fock approximation (HFA) calculations for metallic Fe, Co, Ni, and Cu are presented, by using a quantum-chemical approach. We believe that these are the first HF…