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We present an efficient stochastic algorithm for the recently introduced perturbative density matrix renormalization group (p-DMRG) method for large active spaces. The stochastic implementation bypasses the computational bottleneck involved…

Chemical Physics · Physics 2018-08-01 Sheng Guo , Zhendong Li , Garnet Kin-Lic Chan

The density-matrix renormalization group (DMRG) applied to transfer matrices allows it to calculate static as well as dynamical properties of one-dimensional quantum systems at finite temperature in the thermodynamic limit. To this end the…

Strongly Correlated Electrons · Physics 2007-12-20 S. Glocke , A. Klümper , J. Sirker

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) approach is extended to complex-symmetric density matrices characteristic of many-body open quantum systems. Within the continuum shell model, we investigate the interplay between many-body…

Nuclear Theory · Physics 2009-11-11 J. Rotureau , N. Michel , W. Nazarewicz , M. Ploszajczak , J. Dukelsky

Quantum computing offers the potential for computational abilities that can go beyond classical machines. However, they are still limited by several challenges such as noise, decoherence, and gate errors. As a result, efficient classical…

Quantum Physics · Physics 2025-09-01 Aditya Dubey , Zeki Zeybek , Peter Schmelcher

We present for the first time time-dependent density-matrix renormalization-group simulations (t-DMRG) at finite temperatures. It is demonstrated how a combination of finite-temperature t-DMRG and time-series prediction allows for an easy…

Strongly Correlated Electrons · Physics 2009-07-28 Thomas Barthel , Ulrich Schollwöck , Steven R. White

We describe how to efficiently construct the quantum chemical Hamiltonian operator in matrix product form. We present its implementation as a density matrix renormalization group (DMRG) algorithm for quantum chemical applications in a…

Computational Physics · Physics 2016-01-05 Sebastian Keller , Michele Dolfi , Matthias Troyer , Markus Reiher

In applications of the density matrix renormalization group to nonhermitean problems, the choice of the density matrix is not uniquely prescribed by the algorithm. We demonstrate that for the recently introduced stochastic transfer matrix…

Statistical Mechanics · Physics 2007-05-23 Tilman Enss , Ulrich Schollwoeck

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

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 generalize the recently introduced Density-Matrix Renormalization Group (DMRG-X) [Khemani et al, PRL 2016] algorithm to obtain Floquet eigenstates of one-dimensional, periodically driven many-body localized systems. This generalization…

Strongly Correlated Electrons · Physics 2017-09-28 Carolyn Zhang , Frank Pollmann , S. L. Sondhi , Roderich Moessner

In the Density Matrix Renormalization Group (DMRG) algorithm, Hamiltonian symmetries play an important role. Using symmetries, the matrix representation of the Hamiltonian can be blocked. Diagonalizing each matrix block is more efficient…

Strongly Correlated Electrons · Physics 2012-06-29 G. Alvarez

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

An extension of the the density matrix renormalization group (DMRG) method is presented. Besides the two groups or classes of block states considered in White's formulation, the retained $m$ states and the neglected ones, we introduce an…

Strongly Correlated Electrons · Physics 2009-10-31 Marie-Bernadette Lepetit , G. M. Pastor

We propose a new approach to implement the density matrix renormalization group (DMRG) in two dimensions. With this approach the initial blocks of a L by L lattice are built up directly from the matrix elements of a (L-1) by L-1) lattice…

Strongly Correlated Electrons · Physics 2009-11-07 Tao Xiang , Jizhong Lou , Zhaobin Su

Discretization of continuous stochastic processes is needed to numerically simulate them or to infer models from experimental time series. However, depending on the nature of the process, the same discretization scheme, if not accurate…

Machine Learning · Statistics 2022-05-04 Federica Ferretti , Victor Chardès , Thierry Mora , Aleksandra M Walczak , Irene Giardina

A biorthonormal-block density-matrix renormalization group algorithm is proposed to accurately compute properties of large-scale non-Hermitian many-body systems, in which a renormalized-space partition of the non-Hermitian reduced density…

Strongly Correlated Electrons · Physics 2025-07-08 Peigeng Zhong , Wei Pan , Haiqing Lin , Xiaoqun Wang , Shijie Hu

We introduce the density matrix renormalization group (DMRG) method as an efficient computational tool for one-exciton approximations with off-diagonal disorder. This method allows us to reduce the computational effort by targetting only a…

Strongly Correlated Electrons · Physics 2007-05-23 M. A. Martin-Delgado , J. Rodriguez-Laguna , G. Sierra

We introduce the transcorrelated Density Matrix Renormalization Group (tcDMRG) theory for the efficient approximation of the energy for strongly correlated systems. tcDMRG encodes the wave function as a product of a fixed Jastrow or…

Strongly Correlated Electrons · Physics 2020-11-13 Alberto Baiardi , Markus Reiher

We combine the Density Matrix Renormalization Group (DMRG) with Matrix Product State tangent space concepts to construct a variational algorithm for finding ground states of one dimensional quantum lattices in the thermodynamic limit. A…

Quantum Physics · Physics 2019-04-22 V. Zauner-Stauber , L. Vanderstraeten , M. T. Fishman , F. Verstraete , J. Haegeman