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\textbf{Background} The reach of \textit{ab initio} theory has greatly increased in recent decades. However, predicting the location of the drip lines remains challenging due to uncertainties in nuclear forces and difficulties in describing…

Nuclear Theory · Physics 2026-01-23 A. Sehovic , K. Fossez , H. Hergert

A formulation of the Ginzburg-Landau-Wilson version of the partition function of a system with a continuously varying order parameter as a transfer matrix calculation allows for the application of methods based on the Density Matrix…

Statistical Mechanics · Physics 2009-11-07 William Lay , Joseph Rudnick

We investigate the role of entanglement in quantum phase transitions, and show that the success of the density matrix renormalization group (DMRG) in understanding such phase transitions is due to the way it preserves entanglement under…

Quantum Physics · Physics 2007-05-23 Tobias J. Osborne , Michael A. Nielsen

The accurate electronic structure calculation for strongly correlated chemical systems requires an adequate description for both static and dynamic electron correlation, and is a persistent challenge for quantum chemistry. In order to…

Strongly Correlated Electrons · Physics 2020-08-18 Yinxuan Song , Yifan Cheng , Yingjin Ma , Haibo Ma

We describe here the extension of the density matrix renormalization group algorithm to the case where Hamiltonian has a non-Abelian global symmetry group. The block states transform as irreducible representations of the non-Abelian group.…

Strongly Correlated Electrons · Physics 2009-10-31 I. McCulloch , M. Gulacsi

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

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

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

The density matrix renormalization group (DMRG) method allows an efficient computation of the properties of interacting 1D quantum systems. Two-dimensional (2D) systems, capable of displaying much richer quantum behavior, generally lie…

Strongly Correlated Electrons · Physics 2014-08-06 Samuel Moukouri , Eytan Grosfeld

We introduce a picture to analyze the density matrix renormalization group (DMRG) numerical method from a quantum information perspective. This leads us to introduce some modifications for problems with periodic boundary conditions in which…

Strongly Correlated Electrons · Physics 2007-05-23 F. Verstraete , D. Porras , J. I. Cirac

Estimating the ratio of two probability densities from finitely many samples, is a central task in machine learning and statistics. In this work, we show that a large class of kernel methods for density ratio estimation suffers from error…

Machine Learning · Computer Science 2024-06-04 Lukas Gruber , Markus Holzleitner , Johannes Lehner , Sepp Hochreiter , Werner Zellinger

We present a new implementation of the driven similarity renormalization group (DSRG) based on a density matrix renormalization group (DMRG) reference. The explicit build of high-order reduced density matrices is avoided by forming…

Chemical Physics · Physics 2025-03-04 Chenyang Li , Xiaoxue Wang , Huanchen Zhai , Wei-Hai Fang

The density matrix renormalization group (DMRG) method allows for very precise calculations of ground state properties in low-dimensional strongly correlated systems. We investigate two methods to expand the DMRG to calculations of…

Condensed Matter · Physics 2009-10-31 Till D. Kuehner , Steven R. White

We embody the density matrix renormalization group (DMRG) method for the 19-vertex model on a square lattice in order to investigate the Berezinskii-Kosterlitz-Thouless transition. Elements of the transfer matrix of the 19-vertex model are…

Statistical Mechanics · Physics 2009-10-30 Yasushi Honda , Tsuyoshi Horiguchi

This paper provides a study and discussion of earlier as well as novel more efficient schemes for the precise evaluation of finite-temperature response functions of strongly correlated quantum systems in the framework of the time-dependent…

Quantum Physics · Physics 2013-07-19 Thomas Barthel

In this paper recent substantial progress in applying the density-matrix renormalization-group (DMRG) to the simulation of the time-evolution of strongly correlated quantum systems in one dimension is reviewed. Various approaches to…

Strongly Correlated Electrons · Physics 2015-06-25 Ulrich Schollwoeck

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 one-dimensional (1D) $t-J$ model is investigated using the density matrix renormalization group (DMRG) method. We report for the first time a generalization of the DMRG method to the case of arbitrary band filling and prove a theorem…

Condensed Matter · Physics 2009-10-28 Liang Chen , S. Moukouri

We develop an efficient method to perform density matrix renormalization group simulations of the SU(N) Heisenberg chain with open boundary conditions taking full advantage of the SU(N) symmetry of the problem. This method is an extension…

Strongly Correlated Electrons · Physics 2018-04-25 Pierre Nataf , Frédéric Mila

We implement and apply time-dependent density matrix renormalization group (TD-DMRG) algorithms at zero and finite temperature to compute the linear absorption and fluorescence spectra of molecular aggregates. Our implementation is within a…

Chemical Physics · Physics 2019-07-30 Jiajun Ren , Zhigang Shuai , Garnet Kin-Lic Chan
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