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Cluster Dynamical Mean Field Theories are analyzed in terms of their semiclassical limit and their causality properties, and a translation invariant formulation of the cellular dynamical mean field theory, PCDMFT, is presented. The…
The Density Matrix Renormalization Group (DMRG) method with periodic boundary conditions is introduced for two dimensional classical spin models. It is shown that this method is more suitable for derivation of the properties of infinite 2D…
In a recent paper we have suggested that the finite temperature density matrix can be computed efficiently by a combination of polynomial expansion and iterative inversion techniques. We present here significant improvements over this…
A spectral method is described for solving coupled elliptic problems on an interior and an exterior domain. The method is formulated and tested on the two-dimensional interior Poisson and exterior Laplace problems, whose solutions and their…
Magnetic Particle Imaging (MPI) is a tomographic imaging modality capable of real-time, high-sensitivity mapping of superparamagnetic iron oxide nanoparticles. Model-based image reconstruction provides an alternative to conventional methods…
A key property of many-body localization, the localization of quantum particles in systems with both quenched disorder and interactions, is the area law entanglement of even highly excited eigenstates of many-body localized Hamiltonians.…
The Density Matrix Renormalization Group (DMRG) has become a powerful numerical method that can be applied to low-dimensional strongly correlated fermionic and bosonic systems. It allows for a very precise calculation of static, dynamical…
We show how to simulate numerically both the evolution of 1D quantum systems under dissipation as well as in thermal equilibrium. The method applies to both finite and inhomogeneous systems and it is based on two ideas: (a) a representation…
We discuss a few simple modifications to time-dependent density matrix renormalization group (DMRG) algorithms which allow to access larger time scales. We specifically aim at beginners and present practical aspects of how to implement…
We investigate convergence of the density matrix renormalization group (DMRG) in the thermodynamic limit for gapless systems. Although the DMRG correlations always decay exponentially in the thermodynamic limit, the correlation length at…
We present two efficient and intruder-free methods for treating dynamic correlation on top of general multi-configuration reference wave functions---including such as obtained by the density matrix renormalization group (DMRG) with large…
We have applied the momentum space version of the Density Matrix Renormalization Group method ($k$-DMRG) in quantum chemistry in order to study the accuracy of the algorithm in the new context. We have shown numerically that it is possible…
The Discontinuous Galerkin (DG) electronic structure method employs an adaptive local basis (ALB) set to solve the Kohn-Sham equations of density functional theory (DFT) in a discontinuous Galerkin framework. The adaptive local basis is…
We consider a distributed optimization problem over a network of agents aiming to minimize a global objective function that is the sum of local convex and composite cost functions. To this end, we propose a distributed Chebyshev-accelerated…
We develop a rigorous formalism for the description of the kinetic evolution of interacting entities modeling systems in mathematical biology within the framework of the evolution of marginal observables. For this purpose we construct the…
A method is presented for the unbiased numerical computation of two-particle response functions of correlated electron materials via a solution of the dynamical mean-field equations in the presence of a perturbing field. The power of the…
We explore various ways to group orbitals into clusters in a matrix product state (MPS). We explain how a generic cluster MPS can often lead to an increase in computational cost and instead propose a special cluster structure, involving…
We present a numerical method for calculating piecewise smooth spectral functions of correlated quantum systems in the thermodynamic limit from the spectra of finite systems computed using the dynamical or correction-vector density-matrix…
Wilson's numerical renormalization group (NRG) method for solving quantum impurity models yields a set of energy eigenstates that have the form of matrix product states (MPS). White's density matrix renormalization group (DMRG) for treating…
We extend a previously proposed rotation and truncation scheme to optimize quantum Anderson impurity calculations with exact diagonalization [PRB 90, 085102 (2014)] to density-matrix renormalization group (DMRG) calculations. The method…