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We extend the spin-adapted density matrix renormalization group (DMRG) algorithm of McCulloch and Gulacsi [Europhys. Lett.57, 852 (2002)] to quantum chemical Hamiltonians. This involves two key modifications to the non-spin-adapted DMRG…

Chemical Physics · Physics 2014-08-22 Sandeep Sharma , Garnet Kin-Lic Chan

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

The property of quantum many-body systems under spatial reflection and the relevant physics of renormalization group (RG) procedure are revealed. By virtue of the matrix product state (MPS) representation, various attributes for…

Quantum Physics · Physics 2011-08-08 Li-Xiang Cen , Z. D. Wang

We describe how density-matrix renormalization group (DMRG) can be used to solve the full-CI problem in quantum chemistry. As an illustration of the potential of this method, we apply it to a paramagnetic molecule. In particular, we show…

Strongly Correlated Electrons · Physics 2007-05-23 S. Daul , I. Ciofini , C. Daul , Steven R. White

Based on the contractor renormalization group (CORE) method and the density matrix renormalization group (DMRG) method, a new computational scheme, which is called the block density matrix renormalization group with effective interactions…

Strongly Correlated Electrons · Physics 2009-11-18 Haibo Ma , Chungen Liu , Yuansheng Jiang

We present a numerical implementation of the renormalization group (RG) for partial differential equations, constructing similarity solutions and travelling waves. We show that for a large class of well-localized initial conditions,…

chao-dyn · Physics 2009-10-22 Lin-Yuan Chen , Nigel Goldenfeld

In a recent Letter [Phys. Rev. Lett. 88, 256403(2002), cond-mat/0109158] Cazalilla and Marston proposed a time-dependent density- matrix renormalization group (TdDMRG) algorithm for the accurate evaluation of out-of-equilibrium properties…

Strongly Correlated Electrons · Physics 2007-05-23 H. G. Luo , T. Xiang , X. Q. Wang

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

Density Matrix Renormalization Group (DMRG) and its extensions in the form of Matrix Product States (MPS) are arguably the choice for the study of one dimensional quantum systems in the last three decades. However, due to the limited…

Strongly Correlated Electrons · Physics 2023-04-13 Xiangjian Qian , Mingpu Qin

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 develop a Machine-Learning Renormalization Group (MLRG) algorithm to explore and analyze many-body lattice models in statistical physics. Using the representation learning capability of generative modeling, MLRG automatically learns the…

Statistical Mechanics · Physics 2023-09-13 Wanda Hou , Yi-Zhuang You

We study a generic problem of dissipative quantum mechanics, a small local quantum system with discrete states coupled in an arbitrary way (i.e. not necessarily linear) to several infinitely large particle or heat reservoirs. For both…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Herbert Schoeller

Nematic order is an exotic property observed in several strongly correlated systems, such as the iron-based superconductors. Using large-scale density matrix renormalization group (DMRG) techniques, we study at zero-temperature the nematic…

Strongly Correlated Electrons · Physics 2020-01-16 Wen-Jun Hu , Shou-Shu Gong , Hsin-Hua Lai , Qimiao Si , Elbio Dagotto

We apply a recent adaptation of White's density matrix renormalisation group (DMRG) method to a simple quantum spin model, the dimerised $XY$ chain, in order to assess the applicabilty of the DMRG to quantum systems at non-zero temperature.…

Condensed Matter · Physics 2009-10-28 R. J. Bursill , T. Xiang , G. A. Gehring

Tensor network algorithms have been remarkably successful solving a variety of problems in quantum many-body physics. However, algorithms to optimize two-dimensional tensor networks known as PEPS lack many of the aspects that make the…

Strongly Correlated Electrons · Physics 2020-04-22 Katharine Hyatt , E. M. Stoudenmire

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

It has proved difficult to extend the density matrix renormalization group technique to large two-dimensional systems. In this Communication I present a novel approach where the calculation is done directly in two dimensions. This makes it…

Condensed Matter · Physics 2009-10-31 Patrik Henelius

We develop an alternative time-dependent numerical renormalization group (TDNRG) formalism for multiple quenches and implement it to study the response of a quantum impurity system to a general pulse. Within this approach, we reduce the…

Strongly Correlated Electrons · Physics 2018-10-25 H. T. M. Nghiem , T. A. Costi

Exploiting symmetries in the numerical renormalization group (NRG) method significantly enhances performance by improving accuracy, increasing computational speed, and optimizing memory efficiency. Published codes focus on continuous…

Strongly Correlated Electrons · Physics 2024-09-19 Aitor Calvo-Fernández , María Blanco-Rey , Asier Eiguren

We report a way of obtaining a spin configuration snapshot, which is one of the representative spin configurations in canonical ensemble, in a finite area of infinite size two-dimensional (2D) classical lattice models. The corner transfer…

Statistical Mechanics · Physics 2015-06-24 K. Ueda , R. Otani , Y. Nishio , A. Gendiar , T. Nishino