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The density matrix renormalization group (DMRG) is a powerful numerical technique to solve strongly correlated quantum systems: it deals well with systems which are not dominated by a single configuration (unlike Coupled Cluster) and it…

化学物理 · 物理学 2025-12-16 Martina Nibbi , Luca Frediani , Evgueni Dinvay , Christian B. Mendl

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

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, 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

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) is a numerical algorithm for the efficient truncation of the Hilbert space of low-dimensional strongly correlated quantum systems based on a rather general decimation prescription. This…

强关联电子 · 物理学 2009-11-10 Ulrich Schollwoeck

The density matrix renormalization group (DMRG) method has already proved itself as a very efficient and accurate computational method, which can treat large active spaces and capture the major part of strong correlation. Its application on…

化学物理 · 物理学 2022-10-31 Pavel Beran , Katarzyna Pernal , Fabijan Pavosevic , Libor Veis

This is an introductory course to the Lanczos Method and Density Matrix Renormalization Group Algorithms(DMRG), two among the leading numerical techniques applied in studies of low-dimensional quantum models. The idea of studying the models…

强关联电子 · 物理学 2007-05-23 A. L. Malvezzi

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

We apply the DMRG method to the 2 dimensional delta function potential which is a simple quantum mechanical model with asymptotic freedom and formation of bound states. The system block and the environment block of the DMRG contain the low…

高能物理 - 理论 · 物理学 2009-10-31 M. A. Martin-Delgado , G. Sierra

The density matrix renormalization group (DMRG) method generates the low-energy states of linear systems of $N$ sites with a few degrees of freedom at each site by starting with a small system and adding sites step by step while keeping…

强关联电子 · 物理学 2016-10-05 Manoranjan Kumar , Dayasindhu Dey , Aslam Parvej , S. Ramasesha , Zoltán G. Soos

We study the application of the density matrix renormalization group (DMRG) to systems with one-dimensional acoustic phonons. We show how the use of a local oscillator basis circumvents the difficulties with the long-range interactions…

强关联电子 · 物理学 2009-10-30 L. G. Caron , S. Moukouri

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…

凝聚态物理 · 物理学 2015-06-25 Miguel A. Martin-Delgado , German Sierra

We develop a density matrix renormalization group (DMRG) algorithm for constrained quantum lattice models that successfully {\it{implements the local constraints as symmetries in the contraction of the matrix product states and matrix…

强关联电子 · 物理学 2025-08-11 Ting-Tung Wang , Xiaoxue Ran , Zi Yang Meng

The density-matrix renormalization group method (DMRG) has established itself over the last decade as the leading method for the simulation of the statics and dynamics of one-dimensional strongly correlated quantum lattice systems. In the…

强关联电子 · 物理学 2011-01-04 Ulrich Schollwoeck

We implement an efficient numerical method to calculate response functions of complex impurities based on the Density Matrix Renormalization Group (DMRG) and use it as the impurity-solver of the Dynamical Mean Field Theory (DMFT). This…

强关联电子 · 物理学 2017-11-27 Y. Núñez Fernández , K. Hallberg

We have devised and implemented a local ab initio Density Matrix Renormalization Group (DMRG) algorithm to describe multireference nondynamic correlations in large systems. For long molecules that are extended in one of their spatial…

强关联电子 · 物理学 2009-11-11 Johannes Hachmann , Wim Cardoen , Garnet Kin-Lic Chan

We present a method for computing resonant inelastic x-ray scattering (RIXS) spectra in one-dimensional systems using the density matrix renormalization group (DMRG) method. By using DMRG to address the problem, we shift the computational…

强关联电子 · 物理学 2018-09-20 A. Nocera , U. Kumar , N. Kaushal , G. Alvarez , E. Dagotto , S. Johnston

Variational approaches for the calculation of vibrational wave functions and energies are a natural route to obtain highly accurate results with controllable errors. However, the unfavorable scaling and the resulting high computational cost…

化学物理 · 物理学 2017-08-14 Alberto Baiardi , Christopher J. Stein , Vincenzo Barone , Markus Reiher

The widely used density matrix renormalization group (DRMG) method often fails to converge in systems with multiple length scales, such as lattice discretizations of continuum models and dilute or weakly doped lattice models. The local…

量子气体 · 物理学 2012-07-17 M. Dolfi , B. Bauer , M. Troyer , Z. Ristivojevic