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We have studied the ionic--neutral curve crossing between the two lowest ^1 Sigma^+ states of LiF in order to demonstrate the efficiency of the quantum chemistry version of the density matrix renormalization group method (QC-DMRG). We show…

Strongly Correlated Electrons · Physics 2016-08-16 Ö. Legeza , J. Röder , B. A. Hess

We present an infinite lattice DMRG sweeping procedure which can be used as a replacement for the standard infinite lattice blocking schemes. Although the scheme is generally applicable to any system, its main advantages are the correct…

Strongly Correlated Electrons · Physics 2018-04-25 Peter Schmitteckert

A formulation of the Ginzburg-Landau-Wilson version of the partition function of a system with a continuously varying order parameter as a transfer matrix calculation allows for the application of methods based on the Density Matrix…

Statistical Mechanics · Physics 2009-11-07 William Lay , Joseph Rudnick

Based on the original idea of the density matrix renormalization group (DMRG), i.e. to include the missing boundary conditions between adjacent blocks of the blocked quantum system, we present a rigorous and nonperturbative mathematical…

Statistical Mechanics · Physics 2009-10-31 Andreas Degenhard

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 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 present a unified framework for renormalization group methods, including Wilson's numerical renormalization group (NRG) and White's density-matrix renormalization group (DMRG), within the language of matrix product states. This allows…

Strongly Correlated Electrons · Physics 2009-10-14 A. Weichselbaum , F. Verstraete , U. Schollwöck , J. I. Cirac , Jan von Delft

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…

Condensed Matter · Physics 2015-06-25 Miguel A. Martin-Delgado , German Sierra

We propose a novel many-body framework combining the density matrix renormalization group (DMRG) with the valence-space (VS) formulation of the in-medium similarity renormalization group. This hybrid scheme admits for favorable…

Nuclear Theory · Physics 2023-09-12 A. Tichai , S. Knecht , A. T. Kruppa , Ö. Legeza , C. P. Moca , A. Schwenk , M. A. Werner , G. Zarand

We report a way of wave function estimation for the density matrix renormalization group (DMRG) method applied to quantum systems, which has 2-site modulation, when the system size extension is necessary in both the finite and the infinite…

Quantum Physics · Physics 2011-02-11 Hiroshi Ueda , Tomotoshi Nishino , Koichi Kusakabe

We present the first implementation of the relativistic quantum chemical two- and four-component density matrix renormalization group algorithm that includes a variational description of scalar-relativistic effects and spin-orbit coupling.…

Chemical Physics · Physics 2014-06-03 Stefan Knecht , Ors Legeza , Markus Reiher

We theoretically derive and validate with large scale simulations a remarkably accurate power law scaling of errors for the restricted active space density matrix renormalization group (DMRG-RAS) method [arXiv:2111.06665] in electronic…

Chemical Physics · Physics 2023-04-04 Gero Friesecke , Gergely Barcza , Örs Legeza

A novel parallel hybrid quantum-classical algorithm for the solution of the quantum-chemical ground-state energy problem on gate-based quantum computers is presented. This approach is based on the reduced density-matrix functional theory…

We developed a density matrix renormalization-group technique to study quantum Hall fractions of fast rotating bosons. In this paper we present a discussion of the method together with the results which we obtain in three distinct cases of…

Strongly Correlated Electrons · Physics 2010-03-31 D. L. Kovrizhin

We use the adaptive time-dependent density matrix renormalization group method (t-DMRG) to study the nonequilibrium dynamics of a benchmark quantum impurity system which has a time-dependent Hamiltonian. This model is a resonant-level…

Strongly Correlated Electrons · Physics 2009-04-01 Cheng Guo , Andreas Weichselbaum , Stefan Kehrein , Tao Xiang , Jan von Delft

Matrix models of 2D quantum gravity are either exactly solvable for matter of central charge $ c\leq 1, $ or not understood. It would be useful to devise an approximate scheme which would be reasonable for the known cases and could be…

High Energy Physics - Theory · Physics 2009-10-22 Edouard Brézin , Jean Zinn-Justin

We present the Copupled Cluster (CC) method and the Density matrix Renormalization Grooup (DMRG) method in a unified way, from the perspective of recent developments in tensor product approximation. We present an introduction into recently…

Chemical Physics · Physics 2017-11-22 Örs Legeza , Thorsten Rohwedder , Reinhold Schneider , Szilárd Szalay

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…

Chemical Physics · Physics 2017-08-14 Alberto Baiardi , Christopher J. Stein , Vincenzo Barone , Markus Reiher

A recently proposed renormalization group approach to dimensional crossover in quasi-one-dimensional quantum antiferromagnets is improved and then shown to give identical results, in some cases, to those obtained earlier.

Condensed Matter · Physics 2008-11-26 Ian Affleck , Bertrand I. Halperin

We summarize recent efforts to develop an angular-momentum-conserving variant of the Density Matrix Renormalization Group method into a practical truncation strategy for large-scale shell model calculations of atomic nuclei. Following a…

Nuclear Theory · Physics 2011-05-12 S. Pittel , B. Thakur , N. Sandulescu