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We present an efficient implementation of the Density Matrix Renormalization Group (DMRG) algorithm that includes an optimal ordering of the proton and neutron orbitals and an efficient expansion of the active space utilizing various…

核理论 · 物理学 2015-11-18 Ö. Legeza , L. Veis , A. Poves , J. Dukelsky

We introduce and systematically investigate a novel approach combining the Uhlmann gauge bundle with Density Matrix Renormalization Group (DMRG) and Matrix Product State (MPS) techniques to enhance the representation and preservation of…

量子物理 · 物理学 2025-07-16 Andrei Tudor Patrascu

The density-matrix renormalization group (DMRG) method, which can deal with a large active space composed of tens of orbitals, is nowadays widely used as an efficient addition to traditional complete active space (CAS)-based approaches. In…

强关联电子 · 物理学 2016-11-06 Yingjin Ma , Jing Wen , Haibo Ma

A momentum-space approach of the density-matrix renormalization-group (DMRG) method is developed. Ground state energies of the Hubbard model are evaluated using this method and compared with exact diagonalization as well as quantum…

凝聚态物理 · 物理学 2009-10-28 T. Xiang

Classical probability distributions on sets of sequences can be modeled using quantum states. Here, we do so with a quantum state that is pure and entangled. Because it is entangled, the reduced densities that describe subsystems also carry…

量子物理 · 物理学 2020-12-10 Tai-Danae Bradley , E. Miles Stoudenmire , John Terilla

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…

强关联电子 · 物理学 2009-04-01 Cheng Guo , Andreas Weichselbaum , Stefan Kehrein , Tao Xiang , Jan von Delft

We demonstrate how to parallelize the density matrix renormalization group (DMRG) algorithm in real space through a straightforward modification of serial DMRG. This makes it possible to apply at least an order of magnitude more…

强关联电子 · 物理学 2013-04-25 E. M. Stoudenmire , Steven R. White

By using the density matrix renormalization group (DMRG) technique, the incommensurate quantum Frenkel-Kontorova model is investigated numerically. It is found that when the quantum fluctuation is strong enough, the \emph{g}-function…

其他凝聚态物理 · 物理学 2009-11-11 B. Hu , J. X. Wang

We review the variational principle in the density matrix renormalization group (DMRG) method, which maximizes an approximate partition function within a restricted degrees of freedom; at zero temperature, DMRG mini- mizes the ground state…

统计力学 · 物理学 2009-10-28 T. Nishino , K. Okunishi

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…

凝聚态物理 · 物理学 2016-08-31 Stellan Ostlund , Stefan Rommer

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

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…

量子物理 · 物理学 2021-03-16 Mazen Ali

We study the ground state quantum phase transition by means of entanglement in the one-dimensional asymmetric Hubbard model with open boundary condition. The local entanglement between the middle two sites and the rest of the system, and…

强关联电子 · 物理学 2009-11-13 W. L. Chan , S. J. Gu

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…

强关联电子 · 物理学 2007-05-23 Haihui Guo , Steven R. White

The generalization of Density Matrix Renormalization Group (DMRG) approach as implemented in quantum chemistry, to the case of non-orthogonal orbitals is carefully analyzed. This generalization is attractive from the physical point of view…

强关联电子 · 物理学 2007-05-23 A. O. Mitrushenkov , Guido Fano , Roberto Linguerri , Paolo Palmieri

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

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…

介观与纳米尺度物理 · 物理学 2007-05-23 Walter Hofstetter

We present an implementation of the relativistic quantum-chemical density matrix renormalization group (DMRG) approach based on a matrix-product formalism. Our approach allows us to optimize matrix product state (MPS) wave functions…

化学物理 · 物理学 2017-10-24 Stefano Battaglia , Sebastian Keller , Stefan Knecht

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 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…

强关联电子 · 物理学 2009-11-10 Ö. Legeza , J. Sólyom