相关论文: Testing the GFCCSD impurity solver on real materia…

The single impurity effect on the graphene-based superconductor is studied theoretically. Four different pairing symmetries are discussed. Sharp resonance peaks are found near the impurity site for the $d+id$-wave pairing symmetry and the…

Both nonmagnetic and magnetic impurity effects in spin singlet and triplet excitonic insulators were investigated. The bound state energies caused by single impurity were given. The different compositions of the bound states can be used to…

Large 3D SIMP studies require repeated elasticity solves for density-dependent operators whose finest matrices are expensive to assemble and whose conditioning degrades under high contrast. We study this linear-solver layer rather than…

We present an embedding scheme for periodic systems that facilitates the treatment of the physically important part (here the unit cell) with advanced electronic-structure methods, that are computationally too expensive for periodic…

We theoretically propose an experimentally viable scheme to use an impurity atom in a dipolar Bose-Einstein condensate (BEC), in order to probe analogue low-energy Lorentz violation from the modified dispersion at high energies as suggested…

We study the one-point and two-point Green's functions in a complex random matrix model to sub-leading orders in the large N limit. We take this complex matrix models as a model for the two-state scattering problem, as applied to spin…

We discuss a parameter-free and computationally efficient ab initio simulation approach for moderately and strongly correlated materials, the multitier self-consistent $GW$+EDMFT method. This scheme treats different degrees of freedom, such…

Geometrically frustrated quantum impurities coupled to metallic leads have been shown to exhibit rich behavior with a quantum phase transition separating Kondo screened and local moment phases. Frustration in the quantum impurity can…

We study the problem of two local potential scatterers in a d-wave superconductor, and show how quasiparticle bound state wave functions interfere. Each single-impurity electron and hole resonance energy is in general split in the presence…

Impurities are ubiquitous in condensed matter. Boundary Conformal Field Theory (BCFT) provides a powerful method to study a localized quantum impurity interacting with a gapless continuum of excitations. The results can also be implied to…

CFD-DEM is used to simulate solid-fluid systems. DEM models the motion of discrete particles while CFD models the fluid phase. Coupling both necessitates the calculation of the void fraction and the solid-fluid forces resulting in a…

We present a realistic study for electronic and magnetic properties in dilute magnetic semiconductor (Ga,Mn)As. A multi-orbital Haldane-Anderson model parameterized by density-functional calculations is presented and solved with the…

We present an implementation of equation of motion coupled-cluster singles and doubles (EOM-CCSD) theory using periodic boundary conditions and a plane wave basis set. Our implementation of EOM-CCSD theory is applied to study $F$-centers in…

We consider magnetic impurities in a two dimensional superfluid Fermi gas in the presence of spin-orbit coupling. By using the methods of t-matrix and Green's function, we find spin-orbit coupling has some dramatic impacts on the effects of…

Generalized quantum impurity models -- which feature a few localized and strongly-correlated degrees of freedom coupled to itinerant conduction electrons -- describe diverse physical systems, from magnetic moments in metals to…

Despite recent advances, systematic quantitative treatment of the electron correlation problem in extended systems remains a formidable task. Systematically improvable Green's function methods capable of quantitatively describing weak and…

A symmetric characteristic singular integral equation with two fixed singularities at the endpoints in the class of functions bounded at the ends is analyzed. It reduces to a vector Hilbert problem for a half-disc and then to a vector…

We examine fractional charge and spin errors in self-consistent Green's function theory within a second-order approximation (GF2). For GF2 it is known that the summation of diagrams resulting from the self-consistent solution of the Dyson…

We here present how a self-consistent solution of the dynamical mean field theory equations can be obtained using exact diagonalization of an Anderson impurity model with accuracies comparable to those found using renormalization group or…

Complex multicomponent systems based on PbTe, SnTe, and GeTe are of great interest for infrared devices and high-temperature thermoelectric applications. A deeper understanding of the atomic and electronic structure of these materials is…