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Viewpoint: A little entanglement helps

Ulrich Schollwöck

Published May 11, 2009• 0 citations
OpenAlex

Abstract

A new algorithm allows for the extremely efficient calculation of thermally averaged quantities in one dimension, in conjunction with the density matrix renormalization group method. The key is the judicious selection of a few representative states.

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A little entanglement helps

Ulrich Schollwöck

A new algorithm allows for the extremely efficient calculation of thermally averaged quantities in one dimension, in conjunction with the density matrix renormalization group method. The key is the judicious selection of a few representative states.

Physics•May 11, 2009•4 citations

Improving the efficiency of the Finite Temperature Density Matrix Renormalization Group method

Alberto Nocera, Gonzalo Álvarez

Bulletin of the American Physical Society•Mar 17, 2016•0 citations

The Non-Abelian Density Matrix Renormalization Group Algorithm

Ian P. McCulloch, Miklós Gulácsi

Abstract. – We describe here the extension of the density matrix renormalization group algorithm to the case where the Hamiltonian has a non-Abelian global symmetry group. The block states transform as irreducible representations of the non-Abelian group. Since the representations are multi-dimensional, a single block state in the new representation corresponds to multiple states of the original density matrix renormalization group basis. We demonstrate the usefulness of the construction via the the one-dimensional Hubbard model as the symmetry group is enlarged from U(1) × U(1), up to SU(2) × SU(2). In past years, the density matrix renormalization group (DMRG) method [1] has been extensively used to study one and two dimensional strongly correlated electron systems [2]. This method became very popular when it was realized that it enabled a level of numerical accuracy for one dimensional systems that was not possible using other methods [3]. One major drawback of DMRG is that calculations are performed in a subspace of purely Abelian symmetries, such as the U(1) symmetries of total particle number and the z component of the total spin. Thus one can only obtain a few states in different total particle

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Density matrix renormalization group algorithms for Y-junctions

Haihui Guo, Steven R. White

Systems of Y-junctions are interesting both from a fundamental viewpoint and because of their potential use in nanoscale devices. These systems can be studied numerically with the density matrix renormalization group (DMRG), but existing algorithms are inefficient. Here, we introduce a much more efficient DMRG algorithm for Y-junction systems. As an example of the use of this method, we study $S=\frac{1}{2}$ bound states in Heisenberg $S=1$ junctions with two geometries, one where the junction consists of a single site, and the other where it consists of a triangle of three sites.

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Finite-Temperature Correlation Functions Using the Quantum Minimally Entangled Typical Thermal States Algorithm

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Bulletin of the American Physical Society•Mar 2, 2020•0 citations

Controlling the accuracy of the density-matrix renormalization-group method: The dynamical block state selection approach

Örs Legeza, Johannes Röder, B.A. Hess

We have applied the momentum space version of the density-matrix renormalization-group method (k-DMRG) in quantum chemistry in order to study the accuracy of the algorithm in this new context. We have shown numerically that it is possible to determine the desired accuracy of the method in advance of the calculations by dynamically controlling the truncation error and the number of block states using a novel protocol that we dubbed dynamical block state selection protocol. The relationship between the real error and truncation error has been studied as a function of the number of orbitals and the fraction of filled orbitals. We have calculated the ground state of the molecules ${\mathrm{CH}}_{2},$ ${\mathrm{H}}_{2}\mathrm{O},$ and ${\mathrm{F}}_{2}$ as well as the first excited state of ${\mathrm{CH}}_{2}.$ Our largest calculations were carried out with 57 orbitals, the largest number of block states was 1500--2000, and the largest dimensions of the Hilbert space of the superblock configuration was 800 000--1 200 000.

arXiv:cond-mat/0204602•Physical review. B, Condensed matter•Mar 19, 2003•263 citations
Abstract. – We describe here the extension of the density matrix renormalization group algorithm to the case where the Hamiltonian has a non-Abelian global symmetry group. The block states transform as irreducible representations of the non-Abelian group. Since the representations are multi-dimensional, a single block state in the new representation corresponds to multiple states of the original density matrix renormalization group basis. We demonstrate the usefulness of the construction via the the one-dimensional Hubbard model as the symmetry group is enlarged from U(1) × U(1), up to SU(2) × SU(2). In past years, the density matrix renormalization group (DMRG) method [1] has been extensively used to study one and two dimensional strongly correlated electron systems [2]. This method became very popular when it was realized that it enabled a level of numerical accuracy for one dimensional systems that was not possible using other methods [3]. One major drawback of DMRG is that calculations are performed in a subspace of purely Abelian symmetries, such as the U(1) symmetries of total particle number and the z component of the total spin. Thus one can only obtain a few states in different total particle
Systems of Y-junctions are interesting both from a fundamental viewpoint and because of their potential use in nanoscale devices. These systems can be studied numerically with the density matrix renormalization group (DMRG), but existing algorithms are inefficient. Here, we introduce a much more efficient DMRG algorithm for Y-junction systems. As an example of the use of this method, we study S=12S=\frac{1}{2}S=21​ bound states in Heisenberg S=1S=1S=1 junctions with two geometries, one where the junction consists of a single site, and the other where it consists of a triangle of three sites.
We have applied the momentum space version of the density-matrix renormalization-group method (k-DMRG) in quantum chemistry in order to study the accuracy of the algorithm in this new context. We have shown numerically that it is possible to determine the desired accuracy of the method in advance of the calculations by dynamically controlling the truncation error and the number of block states using a novel protocol that we dubbed dynamical block state selection protocol. The relationship between the real error and truncation error has been studied as a function of the number of orbitals and the fraction of filled orbitals. We have calculated the ground state of the molecules CH2,{\mathrm{CH}}_{2},CH2​, H2O,{\mathrm{H}}_{2}\mathrm{O},H2​O, and F2{\mathrm{F}}_{2}F2​ as well as the first excited state of CH2.{\mathrm{CH}}_{2}.CH2​. Our largest calculations were carried out with 57 orbitals, the largest number of block states was 1500--2000, and the largest dimensions of the Hilbert space of the superblock configuration was 800 000--1 200 000.