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arXiv:2503.18374 · AAPPS bulletin

A promising method for strongly correlated electrons in two dimensions: Gutzwiller-guided Density Matrix Renormalization Group

Hui-Ke Jin, Rong-Yang Sun, Hong-Hao Tu, Yi Zhou

Published Jun 27, 2025• 4 citations
arXivHTMLPDF

Abstract

Abstract The study of strongly correlated electron systems remains a fundamental challenge in condensed matter physics, particularly in two-dimensional (2D) systems hosting various exotic phases of matter including quantum spin liquids, unconventional superconductivity, and topological orders. Although Density Matrix Renormalization Group (DMRG) has established itself as a pillar for simulating one-dimensional quantum systems, its application to 2D systems has long been hindered by the notorious “local minimum” issues. Recent methodological breakthroughs have addressed this challenge by incorporating Gutzwiller-projected wave functions as initial states for DMRG simulations. This hybrid approach, referred to as DMRG guided by Gutzwiller-projected wave functions (or Gutzwiller-guided DMRG), has demonstrated remarkable improvements in accuracy, efficiency, and the ability to explore exotic quantum phases such as topological orders. This review examines the theoretical underpinnings of this approach, details key algorithmic developments, and showcases its applications in recent studies of 2D quantum systems.

DOI
10.1007/s43673-025-00156-8

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Abstract The study of strongly correlated electron systems remains a fundamental challenge in condensed matter physics, particularly in two-dimensional (2D) systems hosting various exotic phases of matter including quantum spin liquids, unconventional superconductivity, and topological orders. Although Density Matrix Renormalization Group (DMRG) has established itself as a pillar for simulating one-dimensional quantum systems, its application to 2D systems has long been hindered by the notorious “local minimum” issues. Recent methodological breakthroughs have addressed this challenge by incorporating Gutzwiller-projected wave functions as initial states for DMRG simulations. This hybrid approach, referred to as DMRG guided by Gutzwiller-projected wave functions (or Gutzwiller-guided DMRG), has demonstrated remarkable improvements in accuracy, efficiency, and the ability to explore exotic quantum phases such as topological orders. This review examines the theoretical underpinnings of this approach, details key algorithmic developments, and showcases its applications in recent studies of 2D quantum systems.
We propose to boost the performance of the density matrix renormalization group (DMRG) in two dimensions by using Gutzwiller projected states as the initialization Ansatz. When the Gutzwiller projected state is properly chosen, the notorious ``local minimum'' issue in DMRG can be circumvented and the precision of DMRG can be improved by orders of magnitude without extra computational cost. Moreover, this method allows one to quantify the closeness of the initial Gutzwiller projected state and the final converged state after DMRG sweeps, thereby shedding light on whether the Gutzwiller Ansatz captures the essential entanglement features of the actual ground state for a given Hamiltonian. Kitaev honeycomb model has been exploited to demonstrate and benchmark this method.
The density matrix renormalization group (DMRG) is one of the most powerful numerical methods for studying two-dimensional quantum lattice systems, despite a perception that it is only suitable for one dimension. Reviewing past applications of DMRG in 2D demonstrates its success in treating a wide variety of problems, although it remains underutilized in this context. We present techniques for performing cutting-edge 2D DMRG studies including methods for ensuring convergence, extrapolating finite-size data, and extracting gaps and excited states. Finally, we consider a selection of recently developed 2D tensor network methods and compare the performance of one of these to 2D DMRG.
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 thermodynamic properties. Its field of applicability has now extended beyond condensed matter, and is successfully used in quantum chemistry, statistical mechanics, quantum information theory, and nuclear and high-energy physics as well. In this article, we briefly review the main aspects of the method and present some of the most relevant applications so as to give an overview of the scope and possibilities of DMRG. We focus on the most important extensions of the method such as the calculation of dynamical properties, the application to classical systems, finite-temperature simulations, phonons and disorder, field theory, time-dependent properties and the ab initio calculation of electronic states in molecules. The recent quantum information interpretation, the development of highly accurate time-dependent algorithms and the possibility of using the DMRG as the impurity-solver of the dynamical mean field method (DMFT) give new insights into its present and potential uses. We review the numerous very recent applications of these techniques where the DMRG has shown to be one of the most reliable and versatile methods in modern computational physics.
One of the most fascinating issues in modern condensed matter physics is to understand highly-correlated electronic structures and propose their novel device designs toward the reduced carbon-dioxide future. Among various developed numerical approaches for highly-correlated electrons, the density matrix renormalization group (DMRG) has been widely accepted as the most promising numerical scheme compared to Monte Carlo and exact diagonalization in terms of accuracy and accessible system size. In fact, DMRG almost perfectly resolves one-dimensional chain like long quantum systems. In this paper, we suggest its extended approach toward higher-dimensional systems by high-performanc computing techniques. The computing target in DMRG is a huge non-uniform sparse matrix diagonalization. In order to efficiently parallelize the part, we implement communication step doubling together with reuse of the mid-point data between the doubled two steps to avoid severe bottleneck of all-to-all communications essential for the diagonalization. The technique is successful even for clusters composed of more than 1000 cores and offers a trustworthy exploration way for two-dimensional highly-correlated systems.
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 Gutzwiller correlator and a matrix product state. The latter is optimized by applying the imaginary-time variant of time-dependent (TD) DMRG to the non-Hermitian transcorrelated Hamiltonian. We demonstrate the efficiency of tcDMRG with the example of the two-dimensional Fermi-Hubbard Hamiltonian, a notoriously difficult target for the DMRG algorithm, for different sizes, occupation numbers, and interaction strengths. We demonstrate fast energy convergence of tcDMRG, which indicates that tcDMRG could increase the efficiency of standard DMRG beyond quasi-monodimensional systems and provides a generally powerful approach toward the dynamic correlation problem of DMRG.
Tensor networks (TNs) and the breadth of algorithms acting on them have seen astounding success in simulating quantum many-body systems in the strongly interacting regime with both accuracy and efficiency. In the context of quantum chemistry, Steven White’s density matrix renormalization group (DMRG) continues to take center stage as the TN method of choice, seeing countless theoretical and computational breakthroughs in recent decades yet remaining fettered by a few persistent shortcomings, notably, a lack of size-extensivity and quasi-exactness . Here, we present a simple yet versatile framework for circumventing these issues: the bootstrap embedded density matrix renormalization group (BE-DMRG), and numerically validate its size-extensive and quasi-exact ground-state properties for a test bed of strongly correlated molecular systems (linear H - chains; quasi-linear E - polyacetylene; 2D and 3D H -lattices; 2D arene flakes ). Spanning a breadth of system sizes (10 to 200 orbitals) and entanglement topologies (linear to highly nonlinear), we demonstrate the robustness of the BE-DMRG for problems far beyond the reach of conventional DMRG implementations. Furthermore, by detailing BE-DMRG convergence behavior with respect to exact diagonalization, we find the rate of convergence with bond dimension to be significantly faster than, yet just as reliable as, that of conventional DMRG. Ultimately, we find that the embedded DMRG might serve as a natural extension of White’s original formulation to higher dimensions without the need for higher-order tensor networks. The coupling of tensor network theories to the framework of quantum embedding, more broadly, may become an incomparably powerful tool for the study of strongly correlated molecules and materials.