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The presence of many degenerate $d/f$ orbitals makes polynuclear transition metal compounds such as iron-sulfur clusters in nitrogenase challenging for state-of-the-art quantum chemistry methods. To address this challenge, we present the…

Chemical Physics · Physics 2023-12-22 Chunyang Xiang , Weile Jia , Wei-Hai Fang , Zhendong Li

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

We generalize the spectral sum rule preserving density matrix numerical renormalization group (DM-NRG) method in such a way that it can make use of an arbitrary number of not necessarily Abelian, local symmetries present in the quantum…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 A. I. Toth , C. P. Moca , O. Legeza , G. Zarand

We introduce the density matrix renormalization group (DMRG) method as an efficient computational tool for one-exciton approximations with off-diagonal disorder. This method allows us to reduce the computational effort by targetting only a…

Strongly Correlated Electrons · Physics 2007-05-23 M. A. Martin-Delgado , J. Rodriguez-Laguna , G. Sierra

An extension of the the density matrix renormalization group (DMRG) method is presented. Besides the two groups or classes of block states considered in White's formulation, the retained $m$ states and the neglected ones, we introduce an…

Strongly Correlated Electrons · Physics 2009-10-31 Marie-Bernadette Lepetit , G. M. Pastor

The authors propose a fast numerical renormalization group method --- the product wave function renormalization group (PWFRG) method --- for 1D quantum lattice models and 2D classical ones. A variational wave function, which is expressed by…

Condensed Matter · Physics 2016-08-31 T. Nishino , K. Okunishi

We describe the use of the Density Matrix Renormalization Group method as a means of approximately solving large-scale nuclear shell-model problems. We focus on an angular-momentum-conserving variant of the method and report test results…

Nuclear Theory · Physics 2011-05-12 S. Pittel , N. Sandulescu

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

We investigate the application of the Density Matrix Renormalization Group (DMRG) to the Hubbard model in momentum-space. We treat the one-dimensional models with dispersion relations corresponding to nearest-neighbor hopping and $1/r$…

Strongly Correlated Electrons · Physics 2009-11-07 Satoshi Nishimoto , Eric Jeckelmann , Florian Gebhard , Reinhard M. Noack

We have devised and implemented a local ab initio Density Matrix Renormalization Group (DMRG) algorithm to describe multireference nondynamic correlations in large systems. For long molecules that are extended in one of their spatial…

Strongly Correlated Electrons · Physics 2009-11-11 Johannes Hachmann , Wim Cardoen , Garnet Kin-Lic Chan

The Density Matrix Renormalization Group (DMRG) algorithm has been a rising star for the accurate ab initio exploration of Born-Oppenheimer potential energy surfaces in theoretical chemistry. However, owing to its iterative numerical…

Chemical Physics · Physics 2014-05-13 Sebastian F. Keller , Markus Reiher

In the Density Matrix Renormalization Group (DMRG) algorithm, Hamiltonian symmetries play an important role. Using symmetries, the matrix representation of the Hamiltonian can be blocked. Diagonalizing each matrix block is more efficient…

Strongly Correlated Electrons · Physics 2012-06-29 G. Alvarez

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

We apply the DMRG method to the 2 dimensional delta function potential which is a simple quantum mechanical model with asymptotic freedom and formation of bound states. The system block and the environment block of the DMRG contain the low…

High Energy Physics - Theory · Physics 2009-10-31 M. A. Martin-Delgado , G. Sierra

We propose a new fast numerical renormalization group method,the corner transfer matrix renormalization group (CTMRG) method, which is based on a unified scheme of Baxter's corner transfer matrix method and White's density matrix…

Condensed Matter · Physics 2009-10-28 T. Nishino , K. Okunishi

We present a method for computing resonant inelastic x-ray scattering (RIXS) spectra in one-dimensional systems using the density matrix renormalization group (DMRG) method. By using DMRG to address the problem, we shift the computational…

Strongly Correlated Electrons · Physics 2018-09-20 A. Nocera , U. Kumar , N. Kaushal , G. Alvarez , E. Dagotto , S. Johnston

Density matrix renormalization group (DMRG) is one of the most powerful numerical methods available for many-body systems. In this work, we develop a perturbation theory of DMRG (PT-DMRG) to largely increase its accuracy in an extremely…

Strongly Correlated Electrons · Physics 2017-03-01 Emanuele Tirrito , Shi-Ju Ran , Andrew J. Ferris , Ian P. McCulloch , Maciej Lewenstein

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 have proposed a density-matrix renormalization group (DMRG) scheme to optimize the one-electron basis states of molecules. It improves significantly the accuracy and efficiency of the DMRG in the study of quantum chemistry or other…

Strongly Correlated Electrons · Physics 2010-10-20 H. -G. Luo , M. -P. Qin , T. Xiang

A linearized tensor renormalization group (LTRG) algorithm is proposed to calculate the thermodynamic properties of one-dimensional quantum lattice models, that is incorporated with the infinite time-evolving block decimation technique, and…

Strongly Correlated Electrons · Physics 2011-04-05 Wei Li , Shi-Ju Ran , Shou-Shu Gong , Yang Zhao , Bin Xi , Fei Ye , Gang Su
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