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Dynamical electronic- and vibrational-structure theories have received a growing interest in the last years due to their ability to simulate spectra recorded with ultrafast experimental techniques. The exact time evolution of a molecular…

Computational Physics · Physics 2020-02-18 Alberto Baiardi , Markus Reiher

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…

Strongly Correlated Electrons · Physics 2016-11-06 Yingjin Ma , Jing Wen , Haibo Ma

The random matrix ensembles (RME), especially Gaussian random matrix ensembles GRME and Ginibre random matrix ensembles, are applied to following quantum systems: nuclear systems, molecular systems, and two-dimensional electron systems…

Statistical Mechanics · Physics 2007-05-23 Maciej M. Duras

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 study the concept of entanglement distance between two quantum states which quantifies the amount of information shared between their reduced density matrices (RDMs). Using analytical arguments combined with…

Strongly Correlated Electrons · Physics 2017-10-18 Mohammad-Sadegh Vaezi , Abolhassan Vaezi

The particle-hole Density Matrix Renormalization Group (p-h DMRG) method is discussed as a possible new approach to large-scale nuclear shell-model calculations. Following a general description of the method, we apply it to a class of…

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

In this paper we present a novel approach combining linear response theory (Kubo) for the conductance and the Density Matrix Renormalization Group (DMRG). The system considered is one-dimensional and consists of non-interacting tight…

Strongly Correlated Electrons · Physics 2007-05-23 Dan Bohr , Peter Schmitteckert , Peter Woelfle

We propose an entanglement-based algorithm of the tensor-network strong-disorder renormalization group (tSDRG) method for quantum spin systems with quenched randomness. In contrast to the previous tSDRG algorithm based on the energy…

Strongly Correlated Electrons · Physics 2021-10-19 Kouichi Seki , Toshiya Hikihara , Kouichi Okunishi

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

Impressive progress has been made in the past decade in the study of technological applications of varied types of quantum systems. With industry giants like IBM laying down their roadmap for scalable quantum devices with more than…

Quantum Physics · Physics 2021-09-15 Rishabh Gupta , Sabre Kais , Raphael D. Levine

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

We study a generic problem of dissipative quantum mechanics, a small local quantum system with discrete states coupled in an arbitrary way (i.e. not necessarily linear) to several infinitely large particle or heat reservoirs. For both…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Herbert Schoeller

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

We investigate the effects of electronic correlations on the Bernevig-Hughes-Zhang model using the real-space density matrix renormalization group (DMRG) algorithm. We introduce a method to probe topological phase transitions in systems…

Strongly Correlated Electrons · Physics 2024-09-17 Rahul Soni , Harini Radhakrishnan , Bernd Rosenow , Gonzalo Alvarez , Adrian Del Maestro

The dissociation of $\rm N_2$ and $\rm N_2^+$ has been studied by using the \emph{ab initio} Density Matrix Renormalization Group (DMRG) method. Accurate Potential Energy Surfaces (PES) have been obtained for the electronic ground states of…

Chemical Physics · Physics 2018-02-21 Christian Stemmle , Örs Legeza , Beate Paulus

The density matrix renormalization group method is generalized to one dimensional random systems. Using this method, the energy gap distribution of the spin-1/2 random antiferromagnetic Heisenberg chain is calculated. The results are…

Condensed Matter · Physics 2009-10-28 Kazuo Hida

We describe how density-matrix renormalization group (DMRG) can be used to solve the full-CI problem in quantum chemistry. As an illustration of the potential of this method, we apply it to a paramagnetic molecule. In particular, we show…

Strongly Correlated Electrons · Physics 2007-05-23 S. Daul , I. Ciofini , C. Daul , Steven R. White

We extend the density matrix renormalization group method to exploit Parity, $C_2$ (rotation by $\pi$) and electron-hole symmtries of model Hamiltonians. We demonstrate the power of this method by obtaining the lowest energy states in all…

Condensed Matter · Physics 2007-05-23 S. Ramasesha , Swapan K. Pati , H. R. Krishnamurthy , Z. Shuai , J. L. Bredas

In quantum information geometry, the curvature of von-Neumann entropy and relative entropy induce a natural metric on the space of mixed quantum states. Here we use this information metric to construct a random matrix ensemble for states…

Quantum Physics · Physics 2026-01-26 Harry J. D. Miller

We apply a recent adaptation of White's density matrix renormalisation group (DMRG) method to a simple quantum spin model, the dimerised $XY$ chain, in order to assess the applicabilty of the DMRG to quantum systems at non-zero temperature.…

Condensed Matter · Physics 2009-10-28 R. J. Bursill , T. Xiang , G. A. Gehring