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The density matrix renormalization group (DMRG) is a celebrated tensor network algorithm, which computes the ground states of one-dimensional quantum many-body systems very efficiently. Here we propose an improved formulation of continuous…

Strongly Correlated Electrons · Physics 2022-12-29 Masahiko G. Yamada , Takumi Sanno , Masahiro O. Takahashi , Yutaka Akagi , Hidemaro Suwa , Satoshi Fujimoto , Masafumi Udagawa

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

Tensor network algorithms have been remarkably successful solving a variety of problems in quantum many-body physics. However, algorithms to optimize two-dimensional tensor networks known as PEPS lack many of the aspects that make the…

Strongly Correlated Electrons · Physics 2020-04-22 Katharine Hyatt , E. M. Stoudenmire

We report a way of wave function estimation for the density matrix renormalization group (DMRG) method applied to quantum systems, which has 2-site modulation, when the system size extension is necessary in both the finite and the infinite…

Quantum Physics · Physics 2011-02-11 Hiroshi Ueda , Tomotoshi Nishino , Koichi Kusakabe

An efficient density matrix renormalization group (DMRG) algorithm is presented and applied to Y-junctions, systems with three arms of $n$ sites that meet at a central site. The accuracy is comparable to DMRG of chains. As in chains, new…

Strongly Correlated Electrons · Physics 2016-03-23 Manoranjan Kumar , Aslam Parvej , Simil Thomas , S. Ramasesha , Z. G. Soos

Understanding the intricate properties of one-dimensional quantum systems coupled to multiple reservoirs poses a challenge to both analytical approaches and simulation techniques. Fortunately, density matrix renormalization group-based…

Quantum Physics · Physics 2021-07-15 Heitor P. Casagrande , Dario Poletti , Gabriel T. Landi

We develop a density matrix renormalization group (DMRG) algorithm for constrained quantum lattice models that successfully {\it{implements the local constraints as symmetries in the contraction of the matrix product states and matrix…

Strongly Correlated Electrons · Physics 2025-08-11 Ting-Tung Wang , Xiaoxue Ran , Zi Yang Meng

We introduce a strictly single-site DMRG algorithm based on the subspace expansion of the Alternating Minimal Energy (AMEn) method. The proposed new MPS basis enrichment method is sufficient to avoid local minima during the optimisation,…

Strongly Correlated Electrons · Physics 2015-04-14 Claudius Hubig , Ian P. McCulloch , Ulrich Schollwöck , F. Alexander Wolf

The Density Matrix Renormalization Group (DMRG) algorithm is a powerful tool for solving eigenvalue problems to model quantum systems. DMRG relies on tensor contractions and dense linear algebra to compute properties of condensed matter…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-01-26 Ryan Levy , Edgar Solomonik , Bryan K. Clark

Explicitly correlated methods, such as the transcorrelated method which shifts a Jastrow or Gutzwiller correlator from the wave function to the Hamiltonian, are designed for high-accuracy calculations of electronic structures, but their…

Strongly Correlated Electrons · Physics 2026-04-10 Benjamin Corbett , Akimasa Miyake

The widely used density matrix renormalization group (DRMG) method often fails to converge in systems with multiple length scales, such as lattice discretizations of continuum models and dilute or weakly doped lattice models. The local…

Quantum Gases · Physics 2012-07-17 M. Dolfi , B. Bauer , M. Troyer , Z. Ristivojevic

We present a matrix-product state (MPS)-based quadratically convergent density-matrix renormalization group self-consistent-field (DMRG-SCF) approach. Following a proposal by Werner and Knowles (JCP 82, 5053, (1985)), our DMRG-SCF algorithm…

Chemical Physics · Physics 2017-08-14 Yingjin Ma , Stefan Knecht , Sebastian Keller , Markus Reiher

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

The numerical renormalization group (NRG) is rephrased as a variational method with the cost function given by the sum of all the energies of the effective low-energy Hamiltonian. This allows to systematically improve the spectrum obtained…

Quantum Physics · Physics 2013-05-23 Iztok Pizorn , Frank Verstraete

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.…

Strongly Correlated Electrons · Physics 2017-01-11 Xiongjie Yu , David Pekker , Bryan K. Clark

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…

Chemical Physics · Physics 2018-03-28 Sheng Guo , Zhendong Li , Garnet Kin-Lic Chan

We have devised and implemented a local ab initio Density Matrix Renormalization Group (DMRG) algorithm to describe multireference nondynamic correlations in large systems. For long molecules that are extended in one of their spatial…

Strongly Correlated Electrons · Physics 2009-11-11 Johannes Hachmann , Wim Cardoen , Garnet Kin-Lic Chan

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…

Strongly Correlated Electrons · Physics 2009-11-13 Hamed Saberi , Andreas Weichselbaum , Jan von Delft

We have studied quantum data compression for finite quantum systems where the site density matrices are not independent, i.e., the density matrix cannot be given as direct product of site density matrices and the von Neumann entropy is not…

Strongly Correlated Electrons · Physics 2009-11-10 Ö. Legeza , J. Sólyom

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