Related papers: Strong Coupling Solver for the Quantum Impurity Mo…
We show that the Mott insulating state of the half-filled paramagnetic Hubbard model in infinite dimensions contains electronic quasiparticles with very small quasiparticle weight at the inner edge of the Hubbard bands. We use a stochastic…
Numerical methods capable of handling nonequilibrium impurity models are essential for the study of transport problems and the solution of the nonequilibrium dynamical mean field theory (DMFT) equations. In the strong correlation regime,…
We present a new continuous time solver for quantum impurity models such as those relevant to dynamical mean field theory. It is based on a stochastic sampling of a perturbation expansion in the impurity-bath hybridization parameter.…
The local moment approach (LMA) has presented itself as a powerful semi-analytical quantum impurity solver (QIS) in the context of the dynamical mean-field theory (DMFT) for the periodic Anderson model and it correctly captures the low…
LDA+DMFT, the computation scheme merging the local density approximation and the dynamical mean-field theory, is employed to calculate spectra both below and above the Fermi energy and spin and orbital occupations in the correlated…
In this work, we develop a non-equilibrium steady-state non-crossing approximation (NESS-NCA) impurity solver applicable to general impurity problems. The choice of the NCA as the impurity solver enables both a more accurate description of…
Quantum embedding methods, such as dynamical mean-field theory (DMFT), provide a powerful framework for investigating strongly correlated materials. A central computational bottleneck in DMFT is in solving the Anderson impurity model (AIM),…
We show how to use diagrammatic techniques to compute the weak-coupling perturbation series of the self-consistent solution to a Dynamical Mean Field Theory (DMFT) problem. This approach constitutes an alternative to using diagrammatic…
We study the antiferromagnetic and the paramagnetic Kondo insulator phases of the Kondo lattice model on the cubic lattice at half-filling using the cellular dynamical mean-field theory (CDMFT) with numerical renormalization group (NRG) as…
We present clear numerical evidence for the coexistence of metallic and insulating dynamical mean field theory(DMFT) solutions in a half-filled single-band Hubbard model with bare semicircular density of states at finite temperatures.…
We solve the impurity problem which arises within nonequilibrium dynamical mean-field theory for the Hubbard model by means of a self-consistent perturbation expansion around the atomic limit. While the lowest order, known as the…
Using the dynamical mean-field theory (DMFT) we study the paramagnetic phase of the Hubbard model with the density of states (DOS) corresponding to the three-dimensional cubic lattice and the two-dimensional square lattice, as well as a DOS…
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…
Dynamical mean-field theory (DMFT) is one of the most widely-used methods to treat accurately electron correlation effects in ab-initio real material calculations. Many modern large-scale implementations of DMFT in electronic structure…
Density of states, dynamic (optical) conductivity and phase diagram of strongly correlated and strongly disordered paramagnetic Anderson-Hubbard model are analyzed within the generalized dynamical mean field theory (DMFT+\Sigma…
We apply a recently introduced hybridization-flow functional renormalization group scheme for Anderson-like impurity models as an impurity solver in a dynamical mean-field theory (DMFT) approach to lattice Hubbard models. We present how…
LDA+DMFT is a novel computational technique for ab initio investigations of real materials with strongly correlated electrons, such as transition metals and their oxides. It combines the strength of conventional band structure theory in the…
We examine the quality of the local self-energy approximation, applied here to models of multiple quantum impurities coupled to an electronic bath. The local self-energy is obtained by solving a single-impurity Anderson model in an…
Quantitative prediction of electronic properties in correlated materials requires simulations without empirical truncations and parameters. We present a method to achieve this goal through a new ab initio formulation of dynamical mean-field…
We propose an improved fast multi-orbital impurity solver for the dynamical mean field theory (DMFT) based on equations of motion (EOM) of Green's functions and decoupling scheme. In this scheme the inter-orbital Coulomb interactions are…