Related papers: Anderson Impurity Mechanism for a Multi-Level Mode…
We present a mapping of correlated multi-impurity Anderson models to a cluster model coupled to a number of effective conduction bands capturing its essential low-energy physics. The major ingredient is the complex single-particle self…
The electronic structures of several actinide solid systems are calculated using the self-interaction corrected local spin density approximation. Within this scheme the $5f$ electron manifold is considered to consist of both localized and…
We report a numerical study of Anderson localization in a 2D system of non-interacting electrons with spin-orbit coupling. We analyze the scaling of the renormalized localization length for the 2D SU(2) model and estimate its…
Intermediate valence compounds containing rare earth or actinide ions are archetypal systems for the investigation of strong electron correlations. Their effective electron masses of 10 to 50 times the free electron mass result from a…
We study the two-impurity Anderson model on finite chains using numerical techniques. We discuss the departure of magnetic correlations as a function of the interimpurity distance from a pure 2k_F oscillation due to open boundary…
The rich variety of iron-based superconductors and their complex electronic structure lead to a wide range of possibilities for gap symmetry and pairing components. Here we solve in the 2-Fe Brillouin zone the full frequency-dependent…
It is shown that $f$-electron multipole is naturally defined as spin-charge one-electron density operator in the second-quantized form with the use of tensor operator on the analogy of multipole expansion of electromagnetic potential from…
We provide a fully analytical derivation of Anderson's orthogonality catastrophe for the one dimensional Fermi polaron integrable model, describing a system of $N$ spin-up fermions, with fixed density $n=N/L$, interacting with a single…
The ab initio computational method known as Hubbard-corrected density functional theory (DFT+$U$) captures well ground electronic structures of a set of solids that are poorly described by standard DFT alone. Since lattice dynamical…
Heat capacity measurements of the delta-phase stabilized alloy Pu-Al suggest that strong electron-phonon coupling is required to explain the moderate renormalization of the electronic density of states near the Fermi energy. We calculate…
The infinite-$U$ single impurity Anderson model for rare earth alloys is examined with a new set of self-consistent coupled integral equations, which can be embedded in the large $N$ expansion scheme ($N$ is the local spin degeneracy). The…
We report spin-polarized scanning tunneling microscopy measurements of an Anderson impurity system in MoS$_{2}$ mirror twin boundaries, where both the quantum confined impurity state and the Kondo resonance resulting from the interaction…
Chirality-induced spin selectivity is a spin-splitting phenomenon from a helical structure with a considerably effective spin-orbit coupling. This unexpectedly large spin-splitting phenomenon has been experimentally observed in chiral…
In this work, we analyze in detail the occurrence of divergences in the irreducible vertex functions for one of the fundamental models of many-body physics: the Anderson impurity model (AIM). These divergences -- a surprising hallmark of…
The mechanism of electron pairing in high-temperature superconductors is still the subject of intense debate. Here, we provide direct evidence of the role of structural dynamics, with selective atomic motions (buckling of copper-oxygen…
Actinide-containing complexes present formidable challenges for electronic structure methods due to the large number of degenerate or quasi-degenerate electronic states arising from partially occupied 5f and 6d shells. Conventional…
We investigate a multi-orbital extension of the periodic Anderson model with particular emphasis on electron correlations including orbital fluctuations. By means of a linearized version of the dynamical mean-field theory, we compute the…
We present a new paradigm for the design of exchange-correlation functionals in density-functional theory. Electron pairs are correlated explicitly by means of the recently developed second order Bethe-Goldstone equation (BGE2) approach.…
A high-throughput benchmarking technique for testing the performance of different exchange-correlation functionals and pseudopotentials is proposed and applied to bulk SnS. It is shown that, contrary to the popular view that the local…
Including on-site electronic interactions described by the multi-orbital Hubbard model we study the correlation effects in the electronic structure of bulk palladium. We use a combined density functional and dynamical mean field theory,…