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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

We propose a novel many-body framework combining the density matrix renormalization group (DMRG) with the valence-space (VS) formulation of the in-medium similarity renormalization group. This hybrid scheme admits for favorable…

Nuclear Theory · Physics 2023-09-12 A. Tichai , S. Knecht , A. T. Kruppa , Ö. Legeza , C. P. Moca , A. Schwenk , M. A. Werner , G. Zarand

We investigate the application of the density-matrix renormalization group (DMRG) algorithm to a one-dimensional harmonic oscillator chain and compare the results with exact solutions, aiming to improve the algorithm efficiency. It has been…

Quantum Physics · Physics 2015-06-19 Yongjun Ma , Jiaxiang Wang , Xinye Xu , Qi Wei , Sabre Kais

We propose a new approach to implement the density matrix renormalization group (DMRG) in two dimensions. With this approach the initial blocks of a L by L lattice are built up directly from the matrix elements of a (L-1) by L-1) lattice…

Strongly Correlated Electrons · Physics 2009-11-07 Tao Xiang , Jizhong Lou , Zhaobin Su

Wilson's Numerical Renormalization Group (NRG) is so far the only nonperturbative technique that can reliably access low-energy properties of quantum impurity systems. We present a recent extension of the method, the DM-NRG, which yields…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Walter Hofstetter

We propose an initialization procedure for the density-matrix renormalization group (DMRG): {\it the recursive sweep method}. In a conventional DMRG calculation, the infinite-algorithm, where two new sites are added to the system at each…

Strongly Correlated Electrons · Physics 2007-05-23 Masaki Tezuka

We present an efficient stochastic algorithm for the recently introduced perturbative density matrix renormalization group (p-DMRG) method for large active spaces. The stochastic implementation bypasses the computational bottleneck involved…

Chemical Physics · Physics 2018-08-01 Sheng Guo , Zhendong Li , Garnet Kin-Lic Chan

I present a density-matrix renormalization-group (DMRG) method for calculating dynamical properties and excited states in low-dimensional lattice quantum many-body systems. The method is based on an exact variational principle for dynamical…

Strongly Correlated Electrons · Physics 2009-11-07 Eric Jeckelmann

We report on the current status of recent efforts to develop the Density Matrix Renormalization Group method for use in large-scale nuclear shell-model calculations.

Nuclear Theory · Physics 2011-05-12 S. Pittel , J. Dukelsky , S. Dimitrova , M. Stoitsov

In the numerical analysis of strongly correlated quantum lattice models one of the leading algorithms developed to balance the size of the effective Hilbert space and the accuracy of the simulation is the density matrix renormalization…

Strongly Correlated Electrons · Physics 2015-06-17 Csaba Nemes , Gergely Barcza , Zoltán Nagy , Örs Legeza , Péter Szolgay

Although substantial progress has been achieved in solving quantum impurity problems, the numerical renormalization group (NRG) method generally performs poorly when applied to quantum lattice systems in a real-space blocking form. The…

Strongly Correlated Electrons · Physics 2018-09-03 Li-Xiang Cen

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 present two new analytic formulations of the Density Matrix Renormalization Group Method. In these formulations we combine the block renormalization group (BRG) procedure with Variational and Fokker-Planck methods. The BRG method is used…

Condensed Matter · Physics 2015-06-25 Miguel A. Martin-Delgado , German Sierra

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

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

In applications of the density matrix renormalization group to nonhermitean problems, the choice of the density matrix is not uniquely prescribed by the algorithm. We demonstrate that for the recently introduced stochastic transfer matrix…

Statistical Mechanics · Physics 2007-05-23 Tilman Enss , Ulrich Schollwoeck

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 use the adaptive time-dependent density matrix renormalization group method (t-DMRG) to study the nonequilibrium dynamics of a benchmark quantum impurity system which has a time-dependent Hamiltonian. This model is a resonant-level…

Strongly Correlated Electrons · Physics 2009-04-01 Cheng Guo , Andreas Weichselbaum , Stefan Kehrein , Tao Xiang , Jan von Delft

We study one dimensional models of diatomic molecules where both the electrons and nuclei are treated as quantum particles, going beyond the usual Born-Oppenheimer approximation. The continuous system is approximated by a grid which…

Strongly Correlated Electrons · Physics 2020-10-02 Mingru Yang , Steven R. White

I revisit the infinite-size variant of the Density Matrix Renormalization Group (iDMRG) algorithm for obtaining a fixed-point translationally invariant matrix product wavefunction in the context of one-dimensional quantum systems. A crucial…

Strongly Correlated Electrons · Physics 2008-04-17 I. P. McCulloch