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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

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

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

We investigate the application of the density-matrix renormalization group (DMRG) algorithm to a one-dimensional harmonic oscillator chain and compare the results with exact solutions, aiming to improve the algorithm efficiency. It has been…

Quantum Physics · Physics 2015-06-19 Yongjun Ma , Jiaxiang Wang , Xinye Xu , Qi Wei , Sabre Kais

In the past two decades, the density matrix renormalization group (DMRG) has emerged as an innovative new method in quantum chemistry relying on a theoretical framework very different from that of traditional electronic structure…

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

We present an efficient implementation of the Density Matrix Renormalization Group (DMRG) algorithm that includes an optimal ordering of the proton and neutron orbitals and an efficient expansion of the active space utilizing various…

Nuclear Theory · Physics 2015-11-18 Ö. Legeza , L. Veis , A. Poves , J. Dukelsky

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 present a hybrid numerical approach to simulate quantum many body problems on two spatial dimensional quantum lattice models via the non-Abelian ab initio version of the density matrix renormalization group method on state-of-the-art…

Strongly Correlated Electrons · Physics 2024-06-05 Andor Menczer , Kornél Kapás , Miklós Antal Werner , Örs Legeza

We employ the density matrix renormalization group (DMRG) and the wave function factorization method for the numerical solution of large scale nuclear structure problems. The DMRG exhibits an improved convergence for problems with realistic…

Nuclear Theory · Physics 2007-05-23 T. Papenbrock , D. J. Dean

In these lecture notes, we present a pedagogical review of a number of related {\it numerically exact} approaches to quantum many-body problems. In particular, we focus on methods based on the exact diagonalization of the Hamiltonian matrix…

Strongly Correlated Electrons · Physics 2007-05-23 Reinhard M. Noack , Salvatore R. Manmana

In this study, we report a parallel algorithm for the infinite-size density matrix renormalization group (iDMRG) that is applicable to one-dimensional (1D) quantum systems with $\ell$-site periods, where $\ell$ is an even number. It…

Strongly Correlated Electrons · Physics 2018-07-03 Hiroshi Ueda

We demonstrate how to parallelize the density matrix renormalization group (DMRG) algorithm in real space through a straightforward modification of serial DMRG. This makes it possible to apply at least an order of magnitude more…

Strongly Correlated Electrons · Physics 2013-04-25 E. M. Stoudenmire , Steven R. White

We develop a variant of the density matrix renormalization group (DMRG) algorithm for two-dimensional cylinders that uses a real space representation along the cylinder and a momentum space representation in the perpendicular direction. The…

Strongly Correlated Electrons · Physics 2016-04-25 Johannes Motruk , Michael P. Zaletel , Roger S. K. Mong , Frank Pollmann

The density matrix renormalization group (DMRG) approach is arguably the most successful method to numerically find ground states of quantum spin chains. It amounts to iteratively locally optimizing matrix-product states, aiming at better…

Quantum Physics · Physics 2015-06-26 J. Eisert

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) 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) 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 present, to the best of our knowlegde, the first attempt to exploit the supercomputer platform for quantum chemical density matrix renormalization group (QC-DMRG) calculations. We have developed the parallel scheme based on the in-house…

Chemical Physics · Physics 2020-06-22 Jiří Brabec , Jan Brandejs , Karol Kowalski , Sotiris Xantheas , Örs Legeza , Libor Veis

For quantum spin models defined on a two-dimensional lattice, we look for the best numbering of the lattice sites (a layout) that, at fixed bond dimension and other parameters of the density matrix renormalization group (DMRG) algorithm,…

Strongly Correlated Electrons · Physics 2026-03-09 A. Scardicchio

The density-matrix renormalization-group (DMRG) algorithm is extended to treat time-dependent problems. The method provides a systematic and robust tool to explore out-of-equilibrium phenomena in quantum many-body systems. We illustrate the…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 M. A. Cazalilla , J. B. Marston