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In the present paper, we propose an efficient numerical scheme for Gutzwiller method for multi-band Hubbard models with general onsite Coulomb interaction. Following the basic idea of Deng et al. [Phys. Rev. B 79, 075114 (2009)] and…

Strongly Correlated Electrons · Physics 2021-11-18 Shiyu Peng , Hongming Weng , Xi Dai

Recurrent neural networks (RNNs) are a class of neural networks that have emerged from the paradigm of artificial intelligence and has enabled lots of interesting advances in the field of natural language processing. Interestingly, these…

Disordered Systems and Neural Networks · Physics 2024-01-17 Mohamed Hibat-Allah , Roger G. Melko , Juan Carrasquilla

Systems of Y-junctions are interesting both from a fundamental viewpoint and because of their potential use in nanoscale devices. These systems can be studied numerically with the density matrix renormalization group(DMRG), but existing…

Strongly Correlated Electrons · Physics 2007-05-23 Haihui Guo , Steven R. White

There has been recent interest in the deployment of ab initio density matrix renormalization group computations on high performance computing platforms. Here, we introduce a reformulation of the conventional distributed memory ab initio…

Chemical Physics · Physics 2021-06-24 Huanchen Zhai , Garnet Kin-Lic Chan

Shared-memory parallelization (SMP) strategies for density matrix renormalization group (DMRG) algorithms enable the treatment of complex systems in solid state physics. We present two different approaches by which parallelization of the…

Strongly Correlated Electrons · Physics 2009-11-10 G. Hager , E. Jeckelmann , H. Fehske , G. Wellein

The density matrix renormalization group (DMRG) is a powerful numerical technique to solve strongly correlated quantum systems: it deals well with systems which are not dominated by a single configuration (unlike Coupled Cluster) and it…

Chemical Physics · Physics 2025-12-16 Martina Nibbi , Luca Frediani , Evgueni Dinvay , Christian B. Mendl

We investigate convergence of the density matrix renormalization group (DMRG) in the thermodynamic limit for gapless systems. Although the DMRG correlations always decay exponentially in the thermodynamic limit, the correlation length at…

Strongly Correlated Electrons · Physics 2009-10-31 Martin Andersson , Magnus Boman , Stellan Ostlund

The density-matrix renormalization-group (DMRG) algorithm is extended to treat time-dependent problems. The method provides a systematic and robust tool to explore out-of-equilibrium phenomena in quantum many-body systems. We illustrate the…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 M. A. Cazalilla , J. B. Marston

In the past two decades, the density matrix renormalization group (DMRG) has emerged as an innovative new method in quantum chemistry relying on a theoretical framework very different from that of traditional electronic structure…

Computational Physics · Physics 2020-02-18 Alberto Baiardi , Markus Reiher

In this paper we examine how the predictions of conformal invariance can be widely exploited to overcome the difficulties of the density-matrix renormalization group near quantum critical points. The main idea is to match the set of…

Statistical Mechanics · Physics 2007-05-23 C. Degli Esposti Boschi , F. Ortolani

In PRB 68, 153101 (2003), Guoping Zhang presented density-matrix renormalization group (DMRG) results which contradict my DMRG calculations and Hirsch's quantum Monte Carlo (QMC) simulations for the charge-density-wave (CDW) phase boundary…

Strongly Correlated Electrons · Physics 2009-11-10 Eric Jeckelmann

When working with quantum states, analysis of the final quantum state generated through probabilistic measurements is essential. This analysis is typically conducted by constructing the density matrix from either partial or full tomography…

Quantum Physics · Physics 2025-01-14 Rohit Prasad , Pratyay Ghosh , Ronny Thomale , Tobias Huber-Loyola

In this paper we describe how the density matrix renormalization group (DMRG) can be used for quantum chemical calculations for molecules, as an alternative to traditional methods, such as configuration interaction or coupled cluster…

Condensed Matter · Physics 2009-10-31 Steven R. White , Richard L. Martin

The numerical renormalization group (NRG) is rephrased as a variational method with the cost function given by the sum of all the energies of the effective low-energy Hamiltonian. This allows to systematically improve the spectrum obtained…

Quantum Physics · Physics 2013-05-23 Iztok Pizorn , Frank Verstraete

We describe and extend the formalism of state-specific analytic density matrix renormalization group (DMRG) energy gradients, first used by Liu et al (J. Chem. Theor.Comput. 9, 4462 (2013)). We introduce a DMRG wavefunction maximum overlap…

Chemical Physics · Physics 2015-03-03 Weifeng Hu , Garnet Kin-Lic Chan

We discuss a few simple modifications to time-dependent density matrix renormalization group (DMRG) algorithms which allow to access larger time scales. We specifically aim at beginners and present practical aspects of how to implement…

Strongly Correlated Electrons · Physics 2016-12-14 D. M. Kennes , C. Karrasch

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

In order to optimize the ordering of the lattice sites in the momentum space and quantum chemistry versions of the density matrix renormalization group (DMRG) method we have studied the separability and entanglement of the target state for…

Strongly Correlated Electrons · Physics 2007-05-23 Ö. Legeza , J. Sólyom

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

The density matrix renormalization group (DMRG) of White 1992 remains to this day an integral component of many state-of-the-art methods for efficiently simulating strongly correlated quantum systems. In quantum chemistry, QC-DMRG became a…

Quantum Physics · Physics 2021-03-16 Mazen Ali