Related papers: Chebyshev Matrix Product State Impurity Solver for…
Density matrix embedding theory (DMET) [Phys. Rev. Lett., 109, 186404 (2012)], introduced a new approach to quantum cluster embedding methods, whereby the mapping of strongly correlated bulk problems to an impurity with finite set of bath…
We use the density matrix renormalization group (DMRG) to perform a detailed study of the critical properties of the two dimensional Q state Potts model, including the magnetization and energy-density profiles, bulk and surface critical…
Response functions $\langle A_x(t) B_y(0)\rangle$ for one-dimensional strongly correlated quantum many-body systems can be computed with matrix product state (MPS) techniques. Especially, when one is interested in spectral functions or…
We describe a low cost alternative to the standard variational DMRG (density matrix renormalization group) algorithm that is analogous to the combination of selected configuration interaction plus perturbation theory (SCI+PT). We denote the…
A recently proposed Markov approach provides Lindblad-type scattering superoperators, which ensure the physical (positive-definite) character of the many-body density matrix. We apply the mean-field approximation to such many-body equation,…
Ground-state preparation is a fundamental task in quantum simulation, because the overlap of the prepared state with the true ground state significantly affects the overall cost of subsequent quantum algorithms. We propose a three-stage…
We introduce a new numerical method for the solution of self-consistent equations in the cluster mean-field theory. The method uses the density matrix renormalization group method to solve the associated cluster problem. We obtain an…
The accurate electronic structure calculation for strongly correlated chemical systems requires an adequate description for both static and dynamic electron correlation, and is a persistent challenge for quantum chemistry. In order to…
We solve the Dynamical Mean Field Theory equations for the Hubbard model away from the particle-hole symmetric case using the Density Matrix Renormalization Group method. We focus our study on the region of strong interactions and finite…
The density matrix renormalization group (DMRG) algorithm is a cornerstone computational method for studying quantum many-body systems, renowned for its accuracy and adaptability. Despite DMRG's broad applicability across fields such as…
Tensor networks, which are originally developed for characterizing complex quantum many-body systems, have recently emerged as a powerful framework for capturing high-dimensional probability distributions with strong physical…
Systems of Y-junctions are interesting both from a fundamental viewpoint and because of their potential use in nanoscale devices. These systems can be studied numerically with the density matrix renormalization group(DMRG), but existing…
As the first component of SPARC (Simulation Package for Ab-initio Real-space Calculations), we present an accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory (DFT) for isolated…
An efficient Krylov subspace algorithm for computing actions of the $\varphi$ matrix function for large matrices is proposed. This matrix function is widely used in exponential time integration, Markov chains and network analysis and many…
Direct numerical simulation (DNS) of turbulent reactive flows has been the subject of significant research interest for several decades. Accurate prediction of the effects of turbulence on the rate of reactant conversion, and the subsequent…
This paper introduces a Heisenberg picture approach to Matrix Product States (MPS), offering a rigorous yet intuitive framework to explore their structure and classification. MPS efficiently represent ground states of quantum many-body…
We propose an optimization algorithm to compute the optimal sensor locations in experimental design in the formulation of Bayesian inverse problems, where the parameter-to-observable mapping is described through an integral equation and its…
This paper discusses the functional stability of closed-loop Markov Chains under optimal policies resulting from a discounted optimality criterion, forming Markov Decision Processes (MDPs). We investigate the stability of MDPs in the sense…
The density matrix renormalization group (DMRG) method allows for very precise calculations of ground state properties in low-dimensional strongly correlated systems. We investigate two methods to expand the DMRG to calculations of…
This article focuses on the calculation of spectral functions for single- and multi-impurity models using the density matrix renormalization group (DMRG). To calculate spectral functions from DMRG, the correction vector method is presently…