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We present an infinite lattice DMRG sweeping procedure which can be used as a replacement for the standard infinite lattice blocking schemes. Although the scheme is generally applicable to any system, its main advantages are the correct…

Strongly Correlated Electrons · Physics 2018-04-25 Peter Schmitteckert

In this work, we simulate the electron dynamics in molecular systems with the Time-Dependent Density Matrix Renormalization Group (TD-DMRG) algorithm. We leverage the generality of the so-called tangent-space TD-DMRG formulation and design…

Chemical Physics · Physics 2021-06-08 Alberto Baiardi

The Density Matrix Renormalization Group (DMRG) method scales exponentially in the system width for models in two dimensions, but remains one of the most powerful methods for studying 2D systems with a sign problem. Reviewing past…

Strongly Correlated Electrons · Physics 2012-03-15 E. M. Stoudenmire , Steven R. White

The density-matrix renormalization group method (DMRG) has established itself over the last decade as the leading method for the simulation of the statics and dynamics of one-dimensional strongly correlated quantum lattice systems. In the…

Strongly Correlated Electrons · Physics 2011-01-04 Ulrich Schollwoeck

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

The Kato-Bloch perturbation formalism is used to present a density-matrix renormalization-group (DMRG) method for strongly anisotropic two-dimensional systems. This method is used to study Heisenberg chains weakly coupled by the transverse…

Strongly Correlated Electrons · Physics 2009-11-10 S. Moukouri

Accurate electronic structure calculations are essential in modern materials science, but strongly correlated systems pose a significant challenge due to their computational cost. Traditional methods, such as complete active space…

Chemical Physics · Physics 2024-12-11 Pavlo Golub , Chao Yang , Vojtěch Vlček , Libor Veis

The Density Matrix Renormalization Group (DMRG) was introduced by Steven White in 1992 as a method for accurately describing the properties of one-dimensional quantum lattices. The method, as originally introduced, was based on the…

Mesoscale and Nanoscale Physics · Physics 2011-05-12 Jorge Dukelsky , Stuart Pittel

We study one dimensional models of diatomic molecules where both the electrons and nuclei are treated as quantum particles, going beyond the usual Born-Oppenheimer approximation. The continuous system is approximated by a grid which…

Strongly Correlated Electrons · Physics 2020-10-02 Mingru Yang , Steven R. White

Sliced-basis DMRG(sb-DMRG) is used to simulate a chain of hydrogen atoms and to construct low-energy effective Hubbard-like models. The downfolding procedure first involves a change of basis to a set of atom-centered Wannier functions…

Strongly Correlated Electrons · Physics 2021-09-14 Randy C. Sawaya , Steven R. White

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

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…

Strongly Correlated Electrons · Physics 2009-10-31 Martin Andersson , Magnus Boman , Stellan Ostlund

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

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

We propose a density matrix renormalization group approach to tackle a two-state system coupled to a bosonic bath with continuous spectrum. In this approach, the optimized phonon scheme is applied to several hundred phonon modes which are…

Strongly Correlated Electrons · Physics 2008-05-31 Hang Wong , Zhi-De Chen

We present a hybrid lattice Hamiltonian truncation method that integrates the numerical renormalization group (NRG) with a truncated lattice integrable spectrum. The technique is tailored for generic deformations of integrable lattice…

Strongly Correlated Electrons · Physics 2025-11-18 Xiaodong He , Xiao Wang , Jianda Wu

The recently proposed Clifford augmented density matrix renormalization group (CA-DMRG) method seamlessly integrates Clifford circuits with matrix product states, and takes advantage of the expression power from both. CA-DMRG has been shown…

Quantum Physics · Physics 2025-11-14 Lizhong Fu , Honghui Shang , Jinlong Yang , Chu Guo

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

In this study, we report a parallel algorithm for the infinite-size density matrix renormalization group (iDMRG) that is applicable to one-dimensional (1D) quantum systems with $\ell$-site periods, where $\ell$ is an even number. It…

Strongly Correlated Electrons · Physics 2018-07-03 Hiroshi Ueda

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