Related papers: Natural-Orbital Impurity Solver and Projection App…
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 introduce a block Lanczos (BL) recursive technique to construct quasi-one-dimensional models, suitable for density-matrix renormalization group (DMRG) calculations, from single- as well as multiple-impurity Anderson models in any spatial…
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…
We study the limits of the energy resolution that can be achieved in the calculations of spectral functions of quantum impurity models using the numerical renormalization group (NRG) technique with interleaving (z-averaging). We show that…
Quantum impurity problems can be solved using the numerical renormalization group (NRG), which involves discretizing the free conduction electron system and mapping to a `Wilson chain'. It was shown recently that Wilson chains for different…
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…
The density matrix renormalization group (DMRG) of White 1992 remains to this day an integral component of many state-of-the-art methods for efficiently simulating strongly correlated quantum systems. In quantum chemistry, QC-DMRG became a…
Exploiting symmetries in the numerical renormalization group (NRG) method significantly enhances performance by improving accuracy, increasing computational speed, and optimizing memory efficiency. Published codes focus on continuous…
We propose an initialization procedure for the density-matrix renormalization group (DMRG): {\it the recursive sweep method}. In a conventional DMRG calculation, the infinite-algorithm, where two new sites are added to the system at each…
Wilson's Numerical Renormalization Group (NRG) is so far the only nonperturbative technique that can reliably access low-energy properties of quantum impurity systems. We present a recent extension of the method, the DM-NRG, which yields…
We propose a new concept upon the renormalization group (RG) procedure for an interacting many-electron correlated system in the framework of natural orbitals, and formulate an algorithm for this RG approach. To demonstrate its…
We present a method for the calculation of dynamical correlation functions of quantum impurity systems out of equilibrium using Wilson's numerical renormalization group. Our formulation is based on a complete basis set of the Wilson chain…
The self-energy method for quantum impurity models expresses the correlation part of the self-energy in terms of the ratio of two Green's functions and allows for a more accurate calculation of equilibrium spectral functions than is…
An Anderson impurity in a Hubbard model on chains with finite length is studied using the density-matrix renormalization group (DMRG) technique. In the first place, we analyzed how the reduction of electron density from half-filling to…
We apply a functional implementation of the field-theoretical renormalization group (RG) method up to two loops to the single-impurity Anderson model. To achieve this, we follow a RG strategy similar to that proposed by Vojta \emph{et al.}…
Solving quantum impurity problems may advance our understanding of strongly correlated electron physics, but its development in multi-impurity systems has been greatly hindered due to the presence of shared bath. Here, we propose a general…
We use the Matsubara functional renormalization group (FRG) to describe electronic correlations within the single impurity Anderson model. In contrast to standard FRG calculations, we account for the frequency-dependence of the two-particle…
We describe a variational approach to solving Anderson impurity models by means of exact diagonalization. Optimized parameters of a discretized auxiliary model are obtained on the basis of the Peierls-Feynman-Bogoliubov principle. Thereby,…
We propose a fast multi-orbital impurity solver for the dynamical mean field theory (DMFT). Our DMFT solver is based on the equations of motion (EOM) for local Green's functions and constructed by generalizing from the single-orbital case…
The accurate theoretical description of materials with strongly correlated electrons is a formidable challenge in condensed matter physics and computational chemistry. Dynamical Mean Field Theory (DMFT) is a successful approach that…