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We implement and apply time-dependent density matrix renormalization group (TD-DMRG) algorithms at zero and finite temperature to compute the linear absorption and fluorescence spectra of molecular aggregates. Our implementation is within a…

Chemical Physics · Physics 2019-07-30 Jiajun Ren , Zhigang Shuai , Garnet Kin-Lic Chan

I present a density-matrix renormalization-group (DMRG) method for calculating dynamical properties and excited states in low-dimensional lattice quantum many-body systems. The method is based on an exact variational principle for dynamical…

Strongly Correlated Electrons · Physics 2009-11-07 Eric Jeckelmann

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…

Computational Physics · Physics 2019-05-24 Alberto Baiardi , Christopher J. Stein , Vincenzo Barone , Markus Reiher

The performance of the density matrix renormalization group (DMRG) is strongly influenced by the choice of the local basis of the underlying physical lattice. We demonstrate that, for the two-dimensional Hubbard model, the hybrid…

Strongly Correlated Electrons · Physics 2017-03-22 G. Ehlers , S. R. White , R. M. Noack

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…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Richard Berkovits

A new approach to large-scale nuclear structure calculations, based on the Density Matrix Renormalization Group (DMRG), is described. The method is tested in the context of a problem involving many identical nucleons constrained to move in…

Nuclear Theory · Physics 2011-05-12 J. Dukelsky , S. Pittel

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…

Chemical Physics · Physics 2017-10-24 Stefano Battaglia , Sebastian Keller , Stefan Knecht

The symmetrized Density-Matrix-Renormalization-Group (DMRG) method is used to study linear and nonlinear optical properties of Free base porphine and metallo-porphine. Long-range interacting model, namely, Pariser-Parr-Pople (PPP) model is…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 Manoranjan Kumar , Y. Anusooya Pati , S. Ramasesha

We present an efficient stochastic algorithm for the recently introduced perturbative density matrix renormalization group (p-DMRG) method for large active spaces. The stochastic implementation bypasses the computational bottleneck involved…

Chemical Physics · Physics 2018-08-01 Sheng Guo , Zhendong Li , Garnet Kin-Lic Chan

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

We describe a low cost alternative to the standard variational DMRG (density matrix renormalization group) algorithm that is analogous to the combination of selected configuration interaction plus perturbation theory (SCI+PT). We denote the…

Chemical Physics · Physics 2018-03-28 Sheng Guo , Zhendong Li , Garnet Kin-Lic Chan

We discuss techniques of the density matrix renormalization group and their application to interacting fermion systems in more than one dimension. We show numerical results for equal--time spin--spin and singlet pair field correlation…

Condensed Matter · Physics 2007-05-23 R. M. Noack , S. R. White , D. J. Scalapino

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…

Strongly Correlated Electrons · Physics 2007-05-23 U. Schollwoeck , S. R. White

In this paper we describe how the density matrix renormalization group (DMRG) can be used for quantum chemical calculations for molecules, as an alternative to traditional methods, such as configuration interaction or coupled cluster…

Condensed Matter · Physics 2009-10-31 Steven R. White , Richard L. Martin

The density matrix renormalization group (DMRG) has become an indispensable numerical tool to find exact eigenstates of finite-size quantum systems with strong correlation. In the fields of condensed matter, nuclear structure and molecular…

Strongly Correlated Electrons · Physics 2014-04-21 Sebastian Wouters , Ward Poelmans , Paul W. Ayers , Dimitri Van Neck

The numerical study of anyonic systems is known to be highly challenging due to their non-bosonic, non-fermionic particle exchange statistics, and with the exception of certain models for which analytical solutions exist, very little is…

Strongly Correlated Electrons · Physics 2015-12-25 Robert N. C. Pfeifer , Sukhwinder Singh

We use the density matrix renormalization group (DMRG) for transfer matrices to numerically calculate impurity corrections to thermodynamic properties. The method is applied to two impurity models in the spin-1/2 chain, namely a weak link…

Strongly Correlated Electrons · Physics 2009-10-31 Stefan Rommer , Sebastian Eggert

The density matrix renormalization group (DMRG) method allows an efficient computation of the properties of interacting 1D quantum systems. Two-dimensional (2D) systems, capable of displaying much richer quantum behavior, generally lie…

Strongly Correlated Electrons · Physics 2014-08-06 Samuel Moukouri , Eytan Grosfeld

Nanoscale topological spin textures in magnetic systems are emerging as promising candidates for scalable quantum architectures. Despite their potential as qubits, previous studies have been limited to semiclassical approaches, leaving a…

Mesoscale and Nanoscale Physics · Physics 2025-08-19 Guanxiong Qu , Ji Zou , Daniel Loss , Tomoki Hirosawa

Density Matrix Renormalization Group (DMRG) or Matrix Product States (MPS) are widely acknowledged as highly effective and accurate methods for solving one-dimensional quantum many-body systems. However, the direct application of DMRG to…

Strongly Correlated Electrons · Physics 2024-11-25 Xiangjian Qian , Jiale Huang , Mingpu Qin
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