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Density matrix renormalization group (DMRG) is one of the most powerful numerical methods available for many-body systems. In this work, we develop a perturbation theory of DMRG (PT-DMRG) to largely increase its accuracy in an extremely…

Strongly Correlated Electrons · Physics 2017-03-01 Emanuele Tirrito , Shi-Ju Ran , Andrew J. Ferris , Ian P. McCulloch , Maciej Lewenstein

In this work, we propose a quantum unitary downfolding formalism based on the driven similarity renormalization group (QDSRG) that may be combined with quantum algorithms for both noisy and fault-tolerant hardware. The QDSRG is a classical…

Quantum Physics · Physics 2022-08-19 Renke Huang , Chenyang Li , Francesco A. Evangelista

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

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, dynamic and…

Condensed Matter · Physics 2007-05-23 Karen Hallberg

Classical probability distributions on sets of sequences can be modeled using quantum states. Here, we do so with a quantum state that is pure and entangled. Because it is entangled, the reduced densities that describe subsystems also carry…

Quantum Physics · Physics 2020-12-10 Tai-Danae Bradley , E. Miles Stoudenmire , John Terilla

Universal scaling laws only apply asymptotically near critical phase transitions. We propose a general scheme, based on normal form theory of renormalization group flows, for incorporating corrections to scaling that quantitatively describe…

Statistical Mechanics · Physics 2024-08-06 David Hathcock , James P. Sethna

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

Dynamical electronic- and vibrational-structure theories have received a growing interest in the last years due to their ability to simulate spectra recorded with ultrafast experimental techniques. The exact time evolution of a molecular…

Computational Physics · Physics 2020-02-18 Alberto Baiardi , Markus Reiher

The recently proposed combination of the valence-space in-medium similarity renormalization group (VS-IMSRG) with the density matrix renormalization group (DMRG) offers a scalable and flexible many-body approach for strongly correlated…

Nuclear Theory · Physics 2024-08-12 A. Tichai , K. Kapás , T. Miyagi , M. A. Werner , Ö. Legeza , A. Schwenk , G. Zarand

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

We describe how density-matrix renormalization group (DMRG) can be used to solve the full-CI problem in quantum chemistry. As an illustration of the potential of this method, we apply it to a paramagnetic molecule. In particular, we show…

Strongly Correlated Electrons · Physics 2007-05-23 S. Daul , I. Ciofini , C. Daul , Steven R. White

We have studied transition metal clusters from a quantum information theory perspective using the density-matrix renormalization group (DMRG) method. We demonstrate the competition between entanglement and interaction localization. We also…

Quantum Physics · Physics 2015-05-19 G. Barcza , Ö. Legeza , K. H. Marti , M. Reiher

Thermalization and its breakdown in interacting quantum many-body systems are governed by mid-spectrum eigenstates, which are typically accessible only in small system sizes amenable to exact diagonalization. Here we demonstrate that the…

Strongly Correlated Electrons · Physics 2026-03-31 Andrew Hallam , Jared Jeyaretnam , Zlatko Papić

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

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…

Condensed Matter · Physics 2007-05-23 Karen Hallberg

The density matrix renormalization group (DMRG) method allows an efficient computation of the properties of interacting 1D quantum systems. Two-dimensional (2D) systems, capable of displaying much richer quantum behavior, generally lie…

Strongly Correlated Electrons · Physics 2014-08-06 Samuel Moukouri , Eytan Grosfeld

We use the finite-entanglement scaling of infinite matrix product states (iMPS) to explore supposedly infinite order transitions. This universal method may have lower computational costs than finite-size scaling. To this end, we study…

Statistical Mechanics · Physics 2011-02-22 Adam Nagy

A new density matrix renormalisation group (DMRG) approach is presented for quantum systems of two spatial dimensions. In particular, it is shown that it is possible to create a multi-chain-type 2D DMRG approach which utilises previously…

Strongly Correlated Electrons · Physics 2009-11-10 Damian J. J. Farnell

Density Matrix Renormalization Group (DMRG) and its extensions in the form of Matrix Product States (MPS) are arguably the choice for the study of one dimensional quantum systems in the last three decades. However, due to the limited…

Strongly Correlated Electrons · Physics 2023-04-13 Xiangjian Qian , Mingpu Qin

Applying the (infinite) density-matrix renormalisation group technique, we explore the effect of an explicit dimerisation on the ground-state phase diagram of the spin-1 $XXZ$ chain with single-ion anisotropy $D$. We demonstrate that the…

Strongly Correlated Electrons · Physics 2021-04-15 Satoshi Ejima , Florian Lange , Holger Fehske