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We present a novel formulation of the vibrational density matrix renormalization group (vDMRG) algorithm tailored to strongly anharmonic molecules described by general high-dimensional model representations of potential energy surfaces. For…

Chemical Physics · Physics 2023-12-29 Nina Glaser , Alberto Baiardi , Markus Reiher

In the numerical analysis of strongly correlated quantum lattice models one of the leading algorithms developed to balance the size of the effective Hilbert space and the accuracy of the simulation is the density matrix renormalization…

Strongly Correlated Electrons · Physics 2015-06-17 Csaba Nemes , Gergely Barcza , Zoltán Nagy , Örs Legeza , Péter Szolgay

Transcorrelation (TC) techniques effectively enhance convergence rates in strongly correlated fermionic systems by embedding electron-electron cusp into the Jastrow factor of similarity transformations, yielding a non-Hermitian, yet…

Quantum Physics · Physics 2025-03-19 Bruna G. M. Araújo , Antonio M S Macedo

We present an extension of the time-dependent Density Matrix Renormalization Group (t-DMRG), also known as Time Evolving Block Decimation algorithm (TEBD), allowing for the computation of dynamically important excited states of…

Quantum Gases · Physics 2013-05-30 Mateusz Lacki , Dominique Delande , Jakub Zakrzewski

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

We extend the symmetrized density matrix renormalization group (SDMRG) method to compute the dynamic nonlinear optic coefficients for long chains. By computing correction vectors in the appropriate symmetry subspace we obtain the dynamic…

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

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…

Condensed Matter · Physics 2009-10-28 T. Xiang

The quantum chemical version of the density matrix renormalization group (DMRG) method has established itself as one of the methods of choice for calculations of strongly correlated molecular systems. Despite its great ability to capture…

Chemical Physics · Physics 2021-08-31 Pavel Beran , Mikuláš Matoušek , Michał Hapka , Katarzyna Pernal , Libor Veis

We apply the density matrix renormalization group (DMRG) method to a non-equilibrium problem: the asymmetric exclusion process in one dimension. We study the stationary state of the process to calculate the particle density profile…

Statistical Mechanics · Physics 2009-10-30 Yasuhiro Hieida

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 density-matrix renormalization group (DMRG) applied to transfer matrices allows it to calculate static as well as dynamical properties of one-dimensional quantum systems at finite temperature in the thermodynamic limit. To this end the…

Strongly Correlated Electrons · Physics 2007-12-20 S. Glocke , A. Klümper , J. Sirker

A simplified version of White's Density Matrix Renormalization Group (DMRG) algorithm has been used to find the ground state of the free particle on a tight-binding lattice. We generalize this algorithm to treat the tight-binding particle…

Strongly Correlated Electrons · Physics 2009-10-31 M. A. Martin-Delgado , G. Sierra , R. M. Noack

This paper provides a study and discussion of earlier as well as novel more efficient schemes for the precise evaluation of finite-temperature response functions of strongly correlated quantum systems in the framework of the time-dependent…

Quantum Physics · Physics 2013-07-19 Thomas Barthel

I revisit the infinite-size variant of the Density Matrix Renormalization Group (iDMRG) algorithm for obtaining a fixed-point translationally invariant matrix product wavefunction in the context of one-dimensional quantum systems. A crucial…

Strongly Correlated Electrons · Physics 2008-04-17 I. P. McCulloch

Time-dependent density functional theory (TDDFT) is a widely used method to investigate electron dynamics under various external perturbations such as laser fields. In this work, we present a novel approach to accelerate real time TDDFT…

Materials Science · Physics 2024-07-29 Karan Shah , Attila Cangi

The one-dimensional (1D) $t-J$ model is investigated using the density matrix renormalization group (DMRG) method. We report for the first time a generalization of the DMRG method to the case of arbitrary band filling and prove a theorem…

Condensed Matter · Physics 2009-10-28 Liang Chen , S. Moukouri

We discuss a few simple modifications to time-dependent density matrix renormalization group (DMRG) algorithms which allow to access larger time scales. We specifically aim at beginners and present practical aspects of how to implement…

Strongly Correlated Electrons · Physics 2016-12-14 D. M. Kennes , C. Karrasch

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

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…

High Energy Physics - Theory · Physics 2009-10-31 M. A. Martin-Delgado , G. Sierra

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…

Strongly Correlated Electrons · Physics 2013-04-25 E. M. Stoudenmire , Steven R. White