Related papers: Testing the GFCCSD impurity solver on real materia…
We apply a two-particle semi-analytic approach to a single Anderson impurity attached to two biased metallic leads. The theory is based on reduced parquet equations justified in critical regions of singularities in the Bethe-Salpeter…
We present a quantum impurity solver based on a pseudo-particle framework, which combines diagrammatic resummations for a three-point vertex with diagrammatic Monte Carlo sampling of a four-point vertex. This recently proposed approach [A.…
In the electron-phonon model, the influence of nonmagnetic impurities on the transition temperature of superconductors is revisited. Anderson's pairing condition between time-reversed eigenstate pairs is derived from the physical constraint…
In ordinary metals, antiferromagnetic exchange between conduction electrons and a magnetic impurity leads to screening of the impurity spin below the Kondo temperature, $T_K$. In systems such as semimetals, small-gap semiconductors and…
Metamaterial homogenization theories usually start with crude approximations that are valid in certain limits in zero order, such as small frequencies, wave vectors and material fill fractions. In some cases they remain surprisingly robust…
An efficient surface integral equation-based method is proposed for the analysis of electromagnetic scattering from multilayered media containing complex periodic inclusions. The proposed method defines equivalent currents at the interfaces…
We present calculations of the thermal and electric linear response in graphene, including disorder in the self-consistent t-matrix approximation. For strong impurity scattering, near the unitary limit, the formation of a band of impurity…
For molecules and solids containing heavy elements, accurate electronic structure calculations require accounting not only for electronic correlations but also for relativistic effects. In molecules, relativity can lead to severe changes in…
We adopt a broken-symmetry strategy for evaluating effective magnetic constants $J$ within the fully self-consistent GW method. To understand the degree of spin contamination present in broken-symmetry periodic solutions, we propose several…
We study impurity bound states and impurity-induced order in the superconducting state of LiFeAs within a realistic five-band model based on the band structure and impurity potentials obtained from density functional theory (DFT). In…
The accurate ab-initio simulation of periodic solids with strong correlations is one of the grand challenges of condensed matter. While mature methods exist for weakly correlated solids, the ab-initio description of strongly correlated…
We study the electronic structure of a spherical jellium in the presence of a central Gaussian impurity. We test how well the resulting inhomogeneity effects beyond spherical jellium are reproduced by several approximations of density…
An approach to calculation of the ionized impurity and surface roughness scattering rates of electrons in very thin semiconductor quantum wires taking into account the energy level broadening is worked out. It is assumed that all the…
Quantum computers (QC) could harbor the potential to significantly advance materials simulations, particularly at the atomistic scale involving strongly correlated fermionic systems where an accurate description of quantum many-body effects…
We propose to calculate spectral functions of quantum impurity models using the Time Evolving Block Decimation (TEBD) for Matrix Product States. The resolution of the spectral function is improved by a so-called linear prediction approach.…
Due to the infinite summation of bubble diagrams, the $GW$ approximation of Green's function perturbation theory has proven particularly effective in the weak correlation regime, where this family of Feynman diagrams is important. However,…
We calculate the average single particle density of states in graphene with disorder due to impurity potentials. For unscreened short-ranged impurities, we use the non-self-consistent and self-consistent Born and $T$-matrix approximations…
Single-site and cluster dynamical mean-field methods are used to estimate the response of a doped Mott insulator to a charged impurity. The effect of correlations on the Thomas-Fermi screening properties is determined. The charge density,…
In this paper, we present a Constraint Energy Minimizing Generalized Multiscale Finite Element Method (CEM-GMsFEM) for parabolic equations with multiscale coefficients, arising from applications in porous media. We will present the…
In this paper we considered a quantum particle moving through delute Bose-Einstein condensate at zero temperature. In our formulation the impurity particle interacts with the gas of uncoupled Bogoliubov's excitations. We constructed the…