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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…

强关联电子 · 物理学 2009-11-10 G. Hager , E. Jeckelmann , H. Fehske , G. Wellein

The density matrix renormalization group (DMRG) approach is arguably the most successful method to numerically find ground states of quantum spin chains. It amounts to iteratively locally optimizing matrix-product states, aiming at better…

量子物理 · 物理学 2015-06-26 J. Eisert

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…

强关联电子 · 物理学 2009-10-31 Walter Hofstetter

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…

强关联电子 · 物理学 2020-10-02 Mingru Yang , Steven R. White

The Density Matrix Renormalization Group (DMRG) method scales exponentially in the system width for models in two dimensions, but remains one of the most powerful methods for studying 2D systems with a sign problem. Reviewing past…

强关联电子 · 物理学 2012-03-15 E. M. Stoudenmire , Steven R. White

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…

化学物理 · 物理学 2014-05-13 Sebastian F. Keller , Markus Reiher

We present a pedagogical discussion of Similarity Renormalization Group (SRG) methods, in particular the In-Medium SRG (IMSRG) approach for solving the nuclear many-body problem. These methods use continuous unitary transformations to…

The one-dimensional (1D) $t-J$ model is investigated using the density matrix renormalization group (DMRG) method. We report for the first time a generalization of the DMRG method to the case of arbitrary band filling and prove a theorem…

凝聚态物理 · 物理学 2009-10-28 Liang Chen , S. Moukouri

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…

强关联电子 · 物理学 2015-06-17 Csaba Nemes , Gergely Barcza , Zoltán Nagy , Örs Legeza , Péter Szolgay

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…

化学物理 · 物理学 2018-08-21 Prachi Sharma , Varinia Bernales , Stefan Knecht , Donald G. Truhlar , Laura Gagliardi

The density matrix renormalization group (DMRG) method introduced by White for the study of strongly interacting electron systems is reviewed; the method is variational and considers a system of localized electrons as the union of two…

强关联电子 · 物理学 2009-10-31 G. Fano , F. Ortolani , L. Ziosi

A simplified version of White's Density Matrix Renormalization Group (DMRG) algorithm has been used to find the ground state of the free particle on a tight-binding lattice. We generalize this algorithm to treat the tight-binding particle…

强关联电子 · 物理学 2009-10-31 M. A. Martin-Delgado , G. Sierra , R. M. Noack

A major advance in density-matrix renormalization group (DMRG) calculations has been achieved by the invention of highly efficient DMRG techniques for the simulation of real-time dynamics of strongly correlated quantum systems in one…

强关联电子 · 物理学 2007-05-23 U. Schollwoeck , S. R. White

We propose a density matrix renormalization group (DMRG) technique at finite temperatures. As is the case of the ground state DMRG, we use a single-target state that is calculated by making use of a regulated polynomial expansion. Both…

强关联电子 · 物理学 2009-03-09 Shigetoshi Sota , Takami Tohyama

We have developed an efficient method for performing density matrix renormalization group (DMRG) simulations of the SU(N) Fermi-Hubbard chain with open boundary conditions, fully leveraging the SU(N) symmetry of the problem. This method…

强关联电子 · 物理学 2025-06-04 Pierre Nataf

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…

强关联电子 · 物理学 2010-10-20 H. -G. Luo , M. -P. Qin , T. Xiang

A new application of the density matrix renormalization group (DMRG) method to a system composed of an interacting dot coupled to a infinite one dimensional lead is presented. This method enables one to study the influence of the coupling…

介观与纳米尺度物理 · 物理学 2007-05-23 Richard Berkovits

Configuration-interaction-type calculations on electronic and vibrational structure are often the method of choice for the reliable approximation of many-particle wave functions and energies. The exponential scaling, however, limits their…

计算物理 · 物理学 2019-05-24 Alberto Baiardi , Christopher J. Stein , Vincenzo Barone , Markus Reiher

The Density Matrix Renormalization Group (DMRG) algorithm is a powerful tool for solving eigenvalue problems to model quantum systems. DMRG relies on tensor contractions and dense linear algebra to compute properties of condensed matter…

分布式、并行与集群计算 · 计算机科学 2021-01-26 Ryan Levy , Edgar Solomonik , Bryan K. Clark

We present the theory of a density matrix renormalization group (DMRG) algorithm which can solve for both the ground and excited states of non-Hermitian transcorrelated Hamiltonians, and show applications in \emph{ab initio} molecular…