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We present the theory of a density matrix renormalization group (DMRG) algorithm which can solve for both the ground and excited states of non-Hermitian transcorrelated Hamiltonians, and show applications in \emph{ab initio} molecular…

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

We propose an initialization procedure for the density-matrix renormalization group (DMRG): {\it the recursive sweep method}. In a conventional DMRG calculation, the infinite-algorithm, where two new sites are added to the system at each…

Strongly Correlated Electrons · Physics 2007-05-23 Masaki Tezuka

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

Explicitly correlated methods, such as the transcorrelated method which shifts a Jastrow or Gutzwiller correlator from the wave function to the Hamiltonian, are designed for high-accuracy calculations of electronic structures, but their…

Strongly Correlated Electrons · Physics 2026-04-10 Benjamin Corbett , Akimasa Miyake

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

Given a Hamiltonian with a continuous symmetry one can generally factorize that symmetry and consider the dynamics on invariant Hilbert Spaces. In Statistical Mechanics this procedure is known as the vertex-IRF map, and in certain cases,…

Statistical Mechanics · Physics 2009-10-28 G. Sierra , T. Nishino

A modified density matrix renormalization group (DMRG) algorithm is applied to the zigzag spin-1/2 chain with frustrated antiferromagnetic exchange $J_1$, $J_2$ between first and second neighbors. The modified algorithm yields accurate…

Strongly Correlated Electrons · Physics 2015-05-18 Manoranjan Kumar , Zoltan G. Soos , Diptiman Sen , S. Ramasesha

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

An efficient density matrix renormalization group (DMRG) algorithm is presented and applied to Y-junctions, systems with three arms of $n$ sites that meet at a central site. The accuracy is comparable to DMRG of chains. As in chains, new…

Strongly Correlated Electrons · Physics 2016-03-23 Manoranjan Kumar , Aslam Parvej , Simil Thomas , S. Ramasesha , Z. G. Soos

The density matrix renormalization group (DMRG) is a numerical method that optimizes a variational state expressed by a tensor product. We show that the ground state is not fully optimized as far as we use the standard finite system…

Statistical Mechanics · Physics 2010-05-20 H. Takasaki , T. Hikihara , T. Nishino

An efficient density matrix renormalization group (DMRG) algorithm is presented for the Bethe lattice with connectivity $Z = 3$ and antiferromagnetic exchange between nearest neighbor spins $s= 1/2$ or 1 sites in successive generations $g$.…

Strongly Correlated Electrons · Physics 2015-06-03 Manoranjan Kumar , S. Ramasesha , Zoltan G. Soos

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

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 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

We study the dynamical density matrix renormalization group (DDMRG) and time-dependent density matrix renormalization group (td-DMRG) algorithms in the ab initio context, to compute dynamical correlation functions of correlated systems. We…

Chemical Physics · Physics 2017-11-21 Enrico Ronca , Zhendong Li , Carlos A. Jimenez-Hoyos , Garnet Kin-Lic Chan

We summarize our recent efforts to develop the Density Matrix Renormalization Group (DMRG) method into a practical truncation strategy for large-scale nuclear shell model calculations. Following an overview of the essential features of the…

Nuclear Theory · Physics 2009-04-16 S. Pittel , B. Thakur

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

The density matrix renormalization group (DMRG) method has already proved itself as a very efficient and accurate computational method, which can treat large active spaces and capture the major part of strong correlation. Its application on…

Chemical Physics · Physics 2022-10-31 Pavel Beran , Katarzyna Pernal , Fabijan Pavosevic , Libor Veis

We present a simple method, combining the density-matrix renormalization-group (DMRG) algorithm with finite-size scaling, which permits the study of critical behavior in quantum spin chains. Spin moments and dimerization are induced by…

Strongly Correlated Electrons · Physics 2009-10-31 Shan-Wen Tsai , J. B. Marston