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The Density Matrix Renormalization Group (DMRG) is a state-of-the-art numerical technique for a one dimensional quantum many-body system; but calculating accurate results for a system with Periodic Boundary Condition (PBC) from the…

Strongly Correlated Electrons · Physics 2016-11-29 Dayasindhu Dey , Debasmita Maiti , Manoranjan Kumar

A simplified version of White's Density Matrix Renormalization Group (DMRG) algorithm has been used to find the ground state of the free particle on a tight-binding lattice. We generalize this algorithm to treat the tight-binding particle…

Strongly Correlated Electrons · Physics 2009-10-31 M. A. Martin-Delgado , G. Sierra , R. M. Noack

During the past 15 years, the density matrix renormalization group (DMRG) has become increasingly important for ab initio quantum chemistry. Its underlying wavefunction ansatz, the matrix product state (MPS), is a low-rank decomposition of…

Chemical Physics · Physics 2014-09-25 Sebastian Wouters , Dimitri Van Neck

We employ the density matrix renormalization group (DMRG) and the wave function factorization method for the numerical solution of large scale nuclear structure problems. The DMRG exhibits an improved convergence for problems with realistic…

Nuclear Theory · Physics 2007-05-23 T. Papenbrock , D. J. Dean

The density matrix renormalization group (DMRG) is a powerful numerical technique to solve strongly correlated quantum systems: it deals well with systems which are not dominated by a single configuration (unlike Coupled Cluster) and it…

Chemical Physics · Physics 2025-12-16 Martina Nibbi , Luca Frediani , Evgueni Dinvay , Christian B. Mendl

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…

Quantum Physics · Physics 2021-03-16 Mazen Ali

We introduce a hybrid approach to applying the density matrix renormalization group (DMRG) to continuous systems, combining a grid approximation along one direction with a finite Gaussian basis set along the remaining two directions. This…

Chemical Physics · Physics 2017-08-02 E. Miles Stoudenmire , Steven R. White

Density Matrix Renormalization Group (DMRG) or Matrix Product States (MPS) are widely acknowledged as highly effective and accurate methods for solving one-dimensional quantum many-body systems. However, the direct application of DMRG to…

Strongly Correlated Electrons · Physics 2024-11-25 Xiangjian Qian , Jiale Huang , Mingpu Qin

In the approaches based on matrix-product states (MPSs), such as the density-matrix renormalization group (DMRG) method, the ordering of the sites crucially affects the computational accuracy. We investigate the performance of an algorithm…

Statistical Mechanics · Physics 2026-01-07 Ryo Watanabe , Toshiya Hikihara , Hiroshi Ueda

A major advance in density-matrix renormalization group (DMRG) calculations has been achieved by the invention of highly efficient DMRG techniques for the simulation of real-time dynamics of strongly correlated quantum systems in one…

Strongly Correlated Electrons · Physics 2007-05-23 U. Schollwoeck , S. R. White

In this paper we give an introduction to the numerical density matrix renormalization group (DMRG) algorithm, from the perspective of the more general matrix product state (MPS) formulation. We cover in detail the differences between the…

Strongly Correlated Electrons · Physics 2009-11-13 Ian P. McCulloch

We investigate the role of entanglement in quantum phase transitions, and show that the success of the density matrix renormalization group (DMRG) in understanding such phase transitions is due to the way it preserves entanglement under…

Quantum Physics · Physics 2007-05-23 Tobias J. Osborne , Michael A. Nielsen

In this paper recent substantial progress in applying the density-matrix renormalization-group (DMRG) to the simulation of the time-evolution of strongly correlated quantum systems in one dimension is reviewed. Various approaches to…

Strongly Correlated Electrons · Physics 2015-06-25 Ulrich Schollwoeck

The density matrix renormalization group (DMRG) method is applied to the interaction round a face (IRF) model. When the transfer matrix is asymmetric, singular-value decomposition of the density matrix is required. A trial numerical…

Condensed Matter · Physics 2009-10-28 Tomotoshi Nishino

The presence of many degenerate $d/f$ orbitals makes polynuclear transition metal compounds such as iron-sulfur clusters in nitrogenase challenging for state-of-the-art quantum chemistry methods. To address this challenge, we present the…

Chemical Physics · Physics 2023-12-22 Chunyang Xiang , Weile Jia , Wei-Hai Fang , Zhendong Li

Obtaining accurate representations of the eigenstates of an array of coupled superconducting qubits is a crucial step in the design of circuit quantum electrodynamics (QED)-based quantum processors. However, exact diagonalization of the…

We introduce and systematically investigate a novel approach combining the Uhlmann gauge bundle with Density Matrix Renormalization Group (DMRG) and Matrix Product State (MPS) techniques to enhance the representation and preservation of…

Quantum Physics · Physics 2025-07-16 Andrei Tudor Patrascu

We present an implementation of the relativistic quantum-chemical density matrix renormalization group (DMRG) approach based on a matrix-product formalism. Our approach allows us to optimize matrix product state (MPS) wave functions…

Chemical Physics · Physics 2017-10-24 Stefano Battaglia , Sebastian Keller , Stefan Knecht

Expanding and improving the repertoire of numerical methods for studying quantum lattice models is an ongoing focus in many-body physics. While the density matrix renormalization group (DMRG) has been established as a practically useful…

Strongly Correlated Electrons · Physics 2021-09-28 Maxwell Block , Johannes Motruk , Snir Gazit , Michael P. Zaletel , Zeph Landau , Umesh Vazirani , Norman Y. Yao

I present a density-matrix renormalization-group (DMRG) method for calculating dynamical properties and excited states in low-dimensional lattice quantum many-body systems. The method is based on an exact variational principle for dynamical…

Strongly Correlated Electrons · Physics 2009-11-07 Eric Jeckelmann