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Matrix Product Operators (MPOs) are at the heart of the second-generation Density Matrix Renormalisation Group (DMRG) algorithm formulated in Matrix Product State language. We first summarise the widely known facts on MPO arithmetic and…

Strongly Correlated Electrons · Physics 2017-01-20 C. Hubig , I. P. McCulloch , U. Schollwöck

Constructing matrix product operators (MPO) is at the core of the modern density matrix renormalization group (DMRG) and its time dependent formulation. For DMRG to be conveniently used in different problems described by different…

Chemical Physics · Physics 2020-09-01 Jiajun Ren , Weitang Li , Tong Jiang , Zhigang Shuai

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

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

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

In this paper we describe how the density matrix renormalization group (DMRG) can be used for quantum chemical calculations for molecules, as an alternative to traditional methods, such as configuration interaction or coupled cluster…

Condensed Matter · Physics 2009-10-31 Steven R. White , Richard L. Martin

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

Theoretical understanding of strongly correlated systems in one spatial dimension (1D) has been greatly advanced by the density-matrix renormalization group (DMRG) algorithm, which is a variational approach using a class of…

Statistical Mechanics · Physics 2013-07-18 M. L. Wall , Lincoln D. Carr

Matrix product operators (MPOs) provide a scalable approach for quantum state tomography (QST) by offering a compact representation of many-body mixed states with limited entanglement, using only a number of parameters that scales…

Quantum Physics · Physics 2026-05-07 Jian-Feng Cai , Jingyang Li , Xiaoqun Zhang , Yuanwei Zhang

Current descriptions of the ab initio DMRG algorithm use two superficially different languages: an older language of the renormalization group and renormalized operators, and a more recent language of matrix product states and matrix…

Chemical Physics · Physics 2016-06-21 Garnet Kin-Lic Chan , Anna Keselman , Naoki Nakatani , Zhendong Li , Steven R. White

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

Strongly Correlated Electrons · Physics 2014-05-22 Sebastian Wouters

Exact diagonalization is a powerful tool to study fractional quantum Hall (FQH) systems. However, its capability is limited by the exponentially increasing computational cost. In order to overcome this difficulty,…

Strongly Correlated Electrons · Physics 2015-10-01 Zhao Liu , R. N. Bhatt

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

The density-matrix renormalization group (DMRG) is a numerical algorithm for the efficient truncation of the Hilbert space of low-dimensional strongly correlated quantum systems based on a rather general decimation prescription. This…

Strongly Correlated Electrons · Physics 2009-11-10 Ulrich Schollwoeck

The density-matrix renormalization group (DMRG) algorithm can be adapted to the calculation of dynamical correlation functions in various ways which all represent compromises between computational efficiency and physical accuracy. In this…

Strongly Correlated Electrons · Physics 2012-11-19 P. E. Dargel , A. Wöllert , A. Honecker , I. P. McCulloch , U. Schollwöck , T. Pruschke

I revisit the infinite-size variant of the Density Matrix Renormalization Group (iDMRG) algorithm for obtaining a fixed-point translationally invariant matrix product wavefunction in the context of one-dimensional quantum systems. A crucial…

Strongly Correlated Electrons · Physics 2008-04-17 I. P. McCulloch

We introduce a matrix product operator (MPO) encoding of the Magnus expansion and the Dyson series for one-dimensional quantum lattice models with time-dependent Hamiltonians. The MPO construction can be made accurate up to arbitrary order…

Density Matrix Renormalization Group (DMRG) algorithm has been extremely successful for computing the ground states of one-dimensional quantum many-body systems. For problems concerned with mixed quantum states, however, it is less…

Strongly Correlated Electrons · Physics 2022-06-01 Chu Guo

We propose a tensor-network (TN) approach for solving classical optimization problems that is inspired by spectral filtering and sampling on quantum states. We first shift and scale an Ising Hamiltonian of the cost function so that all…

Quantum Physics · Physics 2026-02-09 Ryo Watanabe , Joseph Tindall , Shohei Miyakoshi , Hiroshi Ueda

We propose an alternative to the infinite density-matrix renormalization approach for accessing quantum many-body states within a finite-size calculation that faithfully mimics the thermodynamic limit. Our method constructs environment…

Strongly Correlated Electrons · Physics 2025-12-10 Souta Shimozono , Chisa Hotta
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