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The quantum chemical version of the density matrix renormalization group (DMRG) method has established itself as one of the methods of choice for calculations of strongly correlated molecular systems. Despite its great ability to capture…

Chemical Physics · Physics 2021-08-31 Pavel Beran , Mikuláš Matoušek , Michał Hapka , Katarzyna Pernal , Libor Veis

During the past 15 years, the density matrix renormalization group (DMRG) has become increasingly important for ab initio quantum chemistry. The underlying matrix product state (MPS) ansatz is a low-rank decomposition of the full…

Strongly Correlated Electrons · Physics 2014-05-22 Sebastian Wouters

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

We describe in detail the application of the recent non-Abelian Density Matrix Renormalization Group (DMRG) algorithm to the two dimensional t-J model. This extension of the DMRG algorithm allows us to keep the equivalent of twice as many…

Strongly Correlated Electrons · Physics 2015-06-24 I. P. McCulloch , A. R. Bishop , M. Gulacsi

The performance of the density matrix renormalization group (DMRG) is strongly influenced by the choice of the local basis of the underlying physical lattice. We demonstrate that, for the two-dimensional Hubbard model, the hybrid…

Strongly Correlated Electrons · Physics 2017-03-22 G. Ehlers , S. R. White , R. M. Noack

Real Space Renormalization Group (RSRG) techniques and their applications, mainly to quantum mechanics and to partial differential equations, are discussed. Special emphasis is given to the theoretical insight and the reasons for the…

Statistical Mechanics · Physics 2007-05-23 Javier Rodriguez-Laguna

We improve the methodology to construct a complete active space-configuration interaction (CAS-CI) expansion for density-matrix renormalization group (DMRG) wave function using matrix-product state representation, inspired by the…

Strongly Correlated Electrons · Physics 2017-10-12 Zhen Luo , Yingjin Ma , Chungen Liu , Haibo Ma

We combine the Density Matrix Renormalization Group (DMRG) with Matrix Product State tangent space concepts to construct a variational algorithm for finding ground states of one dimensional quantum lattices in the thermodynamic limit. A…

Quantum Physics · Physics 2019-04-22 V. Zauner-Stauber , L. Vanderstraeten , M. T. Fishman , F. Verstraete , J. Haegeman

We present a simple method, combining the density-matrix renormalization-group (DMRG) algorithm with finite-size scaling, which permits the study of critical behavior in quantum spin chains. Spin moments and dimerization are induced by…

Strongly Correlated Electrons · Physics 2009-10-31 Shan-Wen Tsai , J. B. Marston

The density matrix renormalization group (DMRG) algorithm was originally designed to efficiently compute the zero temperature or ground-state properties of one dimensional strongly correlated quantum systems. The development of the…

Strongly Correlated Electrons · Physics 2016-03-09 A. Nocera , G. Alvarez

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 density matrix renormalization group (``DMRG'') discovered by White has shown to be a powerful method to understand the properties of many one dimensional quantum systems. In the case where renormalization eventually converges to a…

Condensed Matter · Physics 2016-08-31 Stellan Ostlund , Stefan Rommer

We present a novel formulation of the vibrational density matrix renormalization group (vDMRG) algorithm tailored to strongly anharmonic molecules described by general high-dimensional model representations of potential energy surfaces. For…

Chemical Physics · Physics 2023-12-29 Nina Glaser , Alberto Baiardi , Markus Reiher

In the Density Matrix Renormalization Group (DMRG), multiple states must be included in the density matrix when properties beyond ground state are needed, including temperature dependence, time evolution, and frequency-resolved response…

Strongly Correlated Electrons · Physics 2019-02-27 E. F. D'Azevedo , W. R. Elwasif , N. D. Patel , G. Alvarez

We present a renormalization group (RG) procedure which works naturally on a wide class of interacting one-dimension models based on perturbed (possibly strongly) continuum conformal and integrable models. This procedure integrates Kenneth…

Strongly Correlated Electrons · Physics 2016-07-05 Robert M. Konik , Yury Adamov

The Kato-Bloch perturbation formalism is used to present a density-matrix renormalization-group (DMRG) method for strongly anisotropic two-dimensional systems. This method is used to study Heisenberg chains weakly coupled by the transverse…

Strongly Correlated Electrons · Physics 2009-11-10 S. Moukouri

The symmetrized Density-Matrix-Renormalization-Group (DMRG) method is used to study linear and nonlinear optical properties of Free base porphine and metallo-porphine. Long-range interacting model, namely, Pariser-Parr-Pople (PPP) model is…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 Manoranjan Kumar , Y. Anusooya Pati , S. Ramasesha

In this paper we introduce a new approach for calculating dynamical properties within the numerical renormalization group. It is demonstrated that the method previously used fails for the Anderson impurity in a magnetic field due to the…

Strongly Correlated Electrons · Physics 2009-10-31 Walter Hofstetter

We theoretically derive and validate with large scale simulations a remarkably accurate power law scaling of errors for the restricted active space density matrix renormalization group (DMRG-RAS) method [arXiv:2111.06665] in electronic…

Chemical Physics · Physics 2023-04-04 Gero Friesecke , Gergely Barcza , Örs Legeza

We have studied quantum data compression for finite quantum systems where the site density matrices are not independent, i.e., the density matrix cannot be given as direct product of site density matrices and the von Neumann entropy is not…

Strongly Correlated Electrons · Physics 2009-11-10 Ö. Legeza , J. Sólyom