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The Density Matrix Renormalisation Group (DMRG) is an electronic structure method that has recently been applied to ab-initio quantum chemistry. Even at this early stage, it has enabled the solution of many problems that would previously…

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

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

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 (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…

Strongly Correlated Electrons · Physics 2008-11-26 Karen Hallberg

We extend the density matrix renormalization group method to exploit Parity, $C_2$ (rotation by $\pi$) and electron-hole symmtries of model Hamiltonians. We demonstrate the power of this method by obtaining the lowest energy states in all…

Condensed Matter · Physics 2007-05-23 S. Ramasesha , Swapan K. Pati , H. R. Krishnamurthy , Z. Shuai , J. L. Bredas

A new approach to large-scale nuclear structure calculations, based on the Density Matrix Renormalization Group (DMRG), is described. The method is tested in the context of a problem involving many identical nucleons constrained to move in…

Nuclear Theory · Physics 2011-05-12 J. Dukelsky , S. Pittel

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

We propose a new approach to study quantum phase transitions in low-dimensional lattice models. It is based on studying the von Neumann entropy of two neighboring central sites in a long chain. It is demonstrated that the procedure works…

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

We propose a novel many-body framework combining the density matrix renormalization group (DMRG) with the valence-space (VS) formulation of the in-medium similarity renormalization group. This hybrid scheme admits for favorable…

Nuclear Theory · Physics 2023-09-12 A. Tichai , S. Knecht , A. T. Kruppa , Ö. Legeza , C. P. Moca , A. Schwenk , M. A. Werner , G. Zarand

We develop a density-matrix renormalization group (DMRG) algorithm for the simulation of quantum circuits. This algorithm can be seen as the extension of time-dependent DMRG from the usual situation of hermitian Hamiltonian matrices to…

We have developed an efficient method for performing density matrix renormalization group (DMRG) simulations of the SU(N) Fermi-Hubbard chain with open boundary conditions, fully leveraging the SU(N) symmetry of the problem. This method…

Strongly Correlated Electrons · Physics 2025-06-04 Pierre Nataf

The density matrix renormalization group (DMRG) algorithm is a popular alternating minimization scheme for solving high-dimensional optimization problems in the tensor train format. Classical DMRG, however, is based on sequential…

Numerical Analysis · Mathematics 2025-12-09 Laura Grigori , Muhammad Hassan

A density-matrix renormalization group (DMRG) method for highly anisotropic two-dimensional systems is presented. The method consists in applying the usual DMRG in two steps. In the first step, a pure one dimensional calculation along the…

Strongly Correlated Electrons · Physics 2009-11-07 S. Moukouri , L. G. Caron

The study of strongly correlated electron systems remains a fundamental challenge in condensed matter physics, particularly in two-dimensional (2D) systems hosting various exotic phases of matter including quantum spin liquids,…

Strongly Correlated Electrons · Physics 2025-07-01 Hui-Ke Jin , Rong-Yang Sun , Hong-Hao Tu , Yi Zhou

Systems of Y-junctions are interesting both from a fundamental viewpoint and because of their potential use in nanoscale devices. These systems can be studied numerically with the density matrix renormalization group(DMRG), but existing…

Strongly Correlated Electrons · Physics 2007-05-23 Haihui Guo , Steven R. White

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

We use the adaptive time-dependent density matrix renormalization group method (t-DMRG) to study the nonequilibrium dynamics of a benchmark quantum impurity system which has a time-dependent Hamiltonian. This model is a resonant-level…

Strongly Correlated Electrons · Physics 2009-04-01 Cheng Guo , Andreas Weichselbaum , Stefan Kehrein , Tao Xiang , Jan von Delft

Configuration-interaction-type calculations on electronic and vibrational structure are often the method of choice for the reliable approximation of many-particle wave functions and energies. The exponential scaling, however, limits their…

Computational Physics · Physics 2019-05-24 Alberto Baiardi , Christopher J. Stein , Vincenzo Barone , Markus Reiher

The density matrix renormalization group (DMRG) has become an indispensable numerical tool to find exact eigenstates of finite-size quantum systems with strong correlation. In the fields of condensed matter, nuclear structure and molecular…

Strongly Correlated Electrons · Physics 2014-04-21 Sebastian Wouters , Ward Poelmans , Paul W. Ayers , Dimitri Van Neck