Related papers: Self-Consistent Determination of Single-Impurity A…
Perturbative schemes utilizing a spectral moment expansion are well known and extensively used for investigating the physics of model Hamiltonians and real material systems. The advantages they offer, in terms of being computationally…
We study the Kondo effect of a quantum dot placed in a complex mesoscopic structure. Assuming that electronic interactions are taking place solely on the dot, and focusing on the infinite Hubbard interaction limit, we use a decoupling…
The strong electron correlations caused by Coulomb interaction of impurity electrons are taken into account. The infinite series of diagrams containing irreducible Green's functions are summed. For symmetric Anderson model we establish the…
The complexity of condensed matter arises from emergent behaviors that cannot be understood by analyzing individual constituents in isolation. While traditional condensed-matter approaches-developed primarily for ideal crystalline…
The electronic structure of small Hubbard molecules coupled between two non-interacting semi-infinite leads is studied in the low bias-voltage limit. To calculate the finite-temperature Green's function of the system, each lead is simulated…
Considering recent advancements and successes in the development of efficient quantum algorithms for electronic structure calculations --- alongside impressive results using machine learning techniques for computation --- hybridizing…
We study the Kondo resonance in a spin-1/2 single impurity Anderson model with a gapless conduction band using the equation of motion approach in order to obtain the impurity spectral function. We study two different scenarios for gapless…
The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…
The Anderson impurity model is a paradigmatic example in the study of strongly correlated quantum systems and describes an interacting quantum dot coupled to electronic leads. In this work, we characterize the emergence of the Kondo effect…
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…
Transition metal oxides belong to a genre of quantum materials essential for the exploration of theoretical methods for quantifying electronic correlation. Finding an efficient and accurate first principles method for the assertion of such…
We analyze the spectral function of the single-impurity two-terminal Anderson model at finite voltage using the recently developed diagrammatic quantum Monte Carlo technique as well as perturbation theory. In the (particle-hole-)symmetric…
By means of a projector-operator formalism we derive an approximation based on a self consistent hybridization expansion to study the ground state properties of the Anderson Impurity model. We applied the approximation to the general case…
Embedding calculations that find approximate solutions to the Schr\"{o}dinger equation for large molecules and realistic solids are performed commonly in a three step procedure involving (i) construction of a model system with effective…
Fitting geometric models onto outlier contaminated data is provably intractable. Many computer vision systems rely on random sampling heuristics to solve robust fitting, which do not provide optimality guarantees and error bounds. It is…
The method of electronic structure calculations for strongly correlated disordered materials is developed employing the basic idea of coherent potential approximation (CPA). Evolution of electronic structure and spin magnetic moment value…
We present an exact diagonalization C++ template library (EDLib) for solving quantum electron models, including single-band finite Hubbard cluster and multi-orbital impurity Anderson model. The observables that can be computed using EDLib…
On the basis of spin and pairing fluctuation-exchange approximation, we study the superconductivity in quasi-two-dimensional Hubbard model. The integral equations for the Green's function are self-consistently solved by numerical…
Correlated materials are known to display qualitatively distinct emergent behaviors at low energy. Conveniently, upon absorbing rapid quantum fluctuations, these rich low-energy behaviors can always be effectively described by dressed…
The two-particle-self-consistent theory is applied to the single-impurity Anderson model. It is found that it cannot reproduce the small energy scale in the strong correlation limit. A modified scheme to overcome this difficulty is proposed…