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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

\textbf{Background} The reach of \textit{ab initio} theory has greatly increased in recent decades. However, predicting the location of the drip lines remains challenging due to uncertainties in nuclear forces and difficulties in describing…

Nuclear Theory · Physics 2026-01-23 A. Sehovic , K. Fossez , H. Hergert

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

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…

Quantum Physics · Physics 2015-06-26 J. Eisert

The nonequilibrium dynamics of strongly-correlated fermions in lattice systems have attracted considerable interest in the condensed matter and ultracold atomic-gas communities. While experiments have made remarkable progress in recent…

Strongly Correlated Electrons · Physics 2017-05-03 N. Schluenzen , J. -P. Joost , F. Heidrich-Meisner , M. Bonitz

The density matrix renormalization group (DMRG) method and its applications to finite temperatures and two-dimensional systems are reviewed. The basic idea of the original DMRG method, which allows precise study of the ground state…

Strongly Correlated Electrons · Physics 2009-11-10 Naokazu Shibata

Within the Dirac-Brueckner-Hartree-Fock approach, using the Bonn potentials, we investigate the properties of dense, asymmetric nuclear matter and apply it to neutron stars. In the actual calculations of the nucleon self-energies and the…

Nuclear Theory · Physics 2013-10-02 Tetsuya Katayama , Koichi Saito

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

The density matrix renormalization group (DMRG) is a celebrated tensor network algorithm, which computes the ground states of one-dimensional quantum many-body systems very efficiently. Here we propose an improved formulation of continuous…

Strongly Correlated Electrons · Physics 2022-12-29 Masahiko G. Yamada , Takumi Sanno , Masahiro O. Takahashi , Yutaka Akagi , Hidemaro Suwa , Satoshi Fujimoto , Masafumi Udagawa

An efficient density matrix renormalization group (DMRG) algorithm is presented for the Bethe lattice with connectivity $Z = 3$ and antiferromagnetic exchange between nearest neighbor spins $s= 1/2$ or 1 sites in successive generations $g$.…

Strongly Correlated Electrons · Physics 2015-06-03 Manoranjan Kumar , S. Ramasesha , Zoltan G. Soos

The non-perturbative {\it ab initio} calculations of infinite nuclear matter using In-Medium Similarity Renormalization Group (IMSRG) method is developed in this work, which enables calculations with chiral two and three-nucleon forces at…

Nuclear Theory · Physics 2025-02-27 Xin Zhen , Rongzhe Hu , Haoyu Shang , Jiawei Chen , Junchen Pei , Furong Xu

A hybrid approach to nonequilibrium dynamics of quantum impurity systems is presented. The numerical renormalization group serves as a means to generate a suitable low-energy Hamiltonian, allowing for an accurate evaluation of the real-time…

Strongly Correlated Electrons · Physics 2013-03-20 Fabian Guettge , Frithjof B. Anders , Ulrich Schollwoeck , Eitan Eidelstein , Avraham Schiller

In the realm of quantum chemistry, the accurate prediction of electronic structure and properties of nanostructures remains a formidable challenge. Density Functional Theory (DFT) and Density Matrix Renormalization Group (DMRG) have emerged…

Strongly Correlated Electrons · Physics 2024-02-21 T. Pauletti , M. Sanino , L. Gimenes , I. M. Carvalho , V. V. França

The recently proposed combination of the valence-space in-medium similarity renormalization group (VS-IMSRG) with the density matrix renormalization group (DMRG) offers a scalable and flexible many-body approach for strongly correlated…

Nuclear Theory · Physics 2024-08-12 A. Tichai , K. Kapás , T. Miyagi , M. A. Werner , Ö. Legeza , A. Schwenk , G. Zarand

The nonrelativistic reduction of the self-consistent covariant density functional theory is realized for the first time with the similarity renormalization group (SRG) method. The reduced nonrelativistic Hamiltonian and densities are…

Nuclear Theory · Physics 2020-08-19 Z. X. Ren , P. W. Zhao

The half-filled Hubbard model on the Bethe lattice with coordination number $z=3$ is studied using the density-matrix renormalization group (DMRG) method. Ground-state properties such as the energy $E$, average local magnetization $<\hat…

Strongly Correlated Electrons · Physics 2007-05-23 Marie-Bernadette Lepetit , Maixent Cousy , G. M. Pastor

Heavy atom compounds represent a challenge for computational chemistry, due to the need for simultaneous treatment of relativistic and correlation effects. Often such systems exhibit also strong correlation which hampers the application of…

Chemical Physics · Physics 2025-02-10 Jakub Višňák , Jan Brandejs , Mihály Máté , Lucas Visscher , Örs Legeza , Jiří Pittner

We present a second-order N-electron valence state perturbation theory (NEVPT2) based on a density matrix renormalization group (DMRG) reference wave function that exploits a Cholesky decomposition of the two-electron repulsion integrals…

Chemical Physics · Physics 2017-03-07 Leon Freitag , Stefan Knecht , Celestino Angeli , Markus Reiher

The density matrix renormalization group (DMRG) is applied to some one-dimensional reaction-diffusion models in the vicinity of and at their critical point. The stochastic time evolution for these models is given in terms of a non-symmetric…

Statistical Mechanics · Physics 2011-10-11 Enrico Carlon , Malte Henkel , Ulrich Schollwoeck

We present a numerical implementation of the density matrix renormalization group (DMRG) using the discrete variable representation (DVR) basis set. One main advantage of using the local DVR basis sets is that the computations of…

Quantum Physics · Physics 2024-11-13 Bing Gu
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