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Minimizing the energy of an $N$-electron system as a functional of a two-electron reduced density matrix (2-RDM), constrained by necessary $N$-representability conditions (conditions for the 2-RDM to represent an ensemble $N$-electron…

Chemical Physics · Physics 2016-06-21 Nicholas C. Rubin , David A. Mazziotti

The quantum chemical version of the density matrix renormalization group (DMRG) method has established itself as one of the methods of choice for calculations of strongly correlated molecular systems. Despite its great ability to capture…

Chemical Physics · Physics 2021-08-31 Pavel Beran , Mikuláš Matoušek , Michał Hapka , Katarzyna Pernal , 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

A new numerical method for the solution of the Dynamical Mean Field Theory's self-consistent equations is introduced. The method uses the Density Matrix Renormalization Group technique to solve the associated impurity problem. The new…

Strongly Correlated Electrons · Physics 2016-08-31 Daniel J. Garcia , Karen Hallberg , Marcelo J. Rozenberg

Simulating strongly correlated systems in two dimensions is notoriously challenging due to rapid entanglement growth and frustration. Here, we introduce the adaptive projected-purified pseudoboson density-matrix renormalization group…

Strongly Correlated Electrons · Physics 2026-02-17 Fabian J. Pauw , Thomas Köhler , Ulrich Schollwöck , Sebastian Paeckel

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

A large variety of materials can be approximately described by means of spin-1/2 Heisenberg ladders. Here, the Density Matrix Renormalization Group (DMRG) algorithm together with a previously established numerical self-consistent mean-field…

Strongly Correlated Electrons · Physics 2026-02-18 Mateo Cárdenes Wuttig , Andrew J. Millis

The widely used density matrix renormalization group (DRMG) method often fails to converge in systems with multiple length scales, such as lattice discretizations of continuum models and dilute or weakly doped lattice models. The local…

Quantum Gases · Physics 2012-07-17 M. Dolfi , B. Bauer , M. Troyer , Z. Ristivojevic

We introduce the Nuclear Electronic All-Particle Density Matrix Renormalization Group (NEAP-DMRG) method for solving the time-independent Schr\"odinger equation simultaneously for electrons and other quantum species. In contrast to already…

Chemical Physics · Physics 2020-05-29 Andrea Muolo , Alberto Baiardi , Robin Feldmann , Markus Reiher

Numerical investigations of the XY model, the Heisenberg model and the J-J' Heisenberg model are conducted, using the exact diagonalisation, the numerical renormalisation and the density matrix renormalisation group approach. The low-lying…

High Energy Physics - Lattice · Physics 2015-02-02 Marcin Szyniszewski

In this paper, we provide a comprehensive study of the quantum magnetism in the Mott insulating phases of the 1D Bose-Hubbard model with abelian or non-abelian synthetic gauge fields, using the Density Matrix Renormalization Group (DMRG)…

Quantum Gases · Physics 2014-07-09 Marie Piraud , Zi Cai , Ian P. McCulloch , Ulrich Schollwöck

Dukelsky, Mart\'in-Delgado, Nishino and Sierra (Europhys. Lett., 43, 457 (1998) - hereafter referred to as DMNS) investigated the matrix product method (MPM), comparing it with the infinite-size density matrix renormalization group (DMRG).…

Strongly Correlated Electrons · Physics 2009-11-07 I. P. McCulloch , M. Gulacsi

Nanoscale topological spin textures in magnetic systems are emerging as promising candidates for scalable quantum architectures. Despite their potential as qubits, previous studies have been limited to semiclassical approaches, leaving a…

Mesoscale and Nanoscale Physics · Physics 2025-08-19 Guanxiong Qu , Ji Zou , Daniel Loss , Tomoki Hirosawa

The density matrix renormalization group (DMRG) is a powerful method to treat static correlation. Here we present an inexpensive way to add additional dynamic correlation energy to a DMRG self-consistent field (DMRG) wave function using…

Chemical Physics · Physics 2018-08-21 Prachi Sharma , Varinia Bernales , Stefan Knecht , Donald G. Truhlar , Laura Gagliardi

We derive analytic energy gradients of the driven similarity renormalization group (DSRG) multireference second-order perturbation theory (MRPT2) using the method of Lagrange multipliers. In the Lagrangian, we impose constraints for a…

Chemical Physics · Physics 2021-09-30 Shuhe Wang , Chenyang Li , Francesco A. Evangelista

We study the application of the density matrix renormalization group (DMRG) to systems with one-dimensional acoustic phonons. We show how the use of a local oscillator basis circumvents the difficulties with the long-range interactions…

Strongly Correlated Electrons · Physics 2009-10-30 L. G. Caron , S. Moukouri

In this paper, we propose a modified Density Matrix Renormalization Group (DMRG) algorithm to preferentially select minimum entropy states (minimally entangled states) in finite systems with asymptotic ground state degeneracy. The algorithm…

Strongly Correlated Electrons · Physics 2013-10-01 Hong-Chen Jiang , Leon Balents

The density matrix renormalization group (DMRG) algorithm was originally designed to efficiently compute the zero temperature or ground-state properties of one dimensional strongly correlated quantum systems. The development of the…

Strongly Correlated Electrons · Physics 2016-03-09 A. Nocera , G. Alvarez

In the last decades, dynamical mean-field theory (DMFT) and its diagrammatic extensions have been successfully applied to describe local and nonlocal correlation effects in correlated electron systems. Unfortunately, except for the exact…

Strongly Correlated Electrons · Physics 2022-11-02 Julian Stobbe , Georg Rohringer

We investigate the density matrix renormalization group (DMRG) discovered by White and show that in the case where the renormalization eventually converges to a fixed point the DMRG ground state can be simply written as a ``matrix product''…

Condensed Matter · Physics 2009-10-28 Stefan Rommer , Stellan Ostlund