Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

arXiv:0801.1947 · Physical Review B

Efficient matrix-product state method for periodic boundary conditions

Peter Pippan, Steven R. White, Hans Gerd Evertz

Published Feb 12, 2010• 88 citations
arXivHTMLPDF

Abstract

We introduce an efficient method to calculate the ground state of one-dimensional lattice models with periodic boundary conditions. The method works in the representation of matrix product states (MPS), related to the density matrix renormalization group (DMRG) method. It improves on a previous approach by Verstraete et al. We introduce a factorization procedure for long products of MPS matrices, which reduces the computational effort from ${m}^{5}$ to ${m}^{3}$, where $m$ is the matrix dimension, and $m\ensuremath{\simeq}100--1000$ in typical cases. We test the method on the $S=\frac{1}{2}$ and $S=1$ Heisenberg chains. It is also applicable to nontranslationally invariant cases. The method makes ground-state calculations with periodic boundary conditions about as efficient as traditional DMRG calculations for systems with open boundaries.

DOI
10.1103/physrevb.81.081103

Related papers

Efficient MPS Algorithm for Periodic Boundary Conditions and Applications Section: Solid matter Original Author's Text: English Abstract: We present the implementation of an efficient algorithm for the calculation of the spectrum of one-dimensional quantum systems with periodic boundary conditions. This algorithm is based on a matrix product representation for quantum states (MPS) and a similar representation for Hamiltonians and other operators (MPO). It is significantly more efficient for systems of about 100 sites and more than for small quantum systems. We apply the formalism to calculate the ground state and the first excited state of a spin-1 Heisenberg ring and deduce the size of a Haldane gap. The results are compared to previous high-precision DMRG calculations. Furthermore, we study the spin-1 systems with a biquadratic nearest-neighbor interaction and show the first results of an application to a mesoscopic Hubbard ring of spinless fermions, which carries a persistent current. Key words: matrix product representation for quantum states (MPS) and Hamiltonians (MPO), spin-1 Heisenberg ring, density matrix renormalization group (DMRG). List Issues Configure

Physikalisch-Technische Bundesanstalt (Bundesallee 100, D-38116 Braunschweig, Germany), Michael Weyrauch, Mykhailo V. Rakov

We present the implementation of an efficient algorithm for the calculation of the spectrum of one-dimensional quantum systems with periodic boundary conditions. This algorithm is based on a matrix product representation for quantum states (MPS) and a similar representation for Hamiltonians and other operators (MPO). It is significantly more efficient for systems of about 100 sites and more than for small quantum systems. We apply the formalism to calculate the ground state and the first excited state of a spin-1 Heisenberg ring and deduce the size of a Haldane gap. The results are compared to previous high-precision DMRG calculations. Furthermore, we study the spin-1 systems with a biquadratic nearest-neighbor interaction and show the first results of an application to a mesoscopic Hubbard ring of spinless fermions, which carries a persistent current.

arXiv:1303.1333•Ukrainian Journal of Physics•Jul 1, 2013•12 citations

An efficient density matrix renormalization group algorithm for chains with periodic boundary condition

Dayasindhu Dey, Debasmita Maiti, Manoranjan Kumar

The Density Matrix Renormalization Group (DMRG) is a state-of-the-art numerical technique for a one dimensional quantum many-body system; but calculating accurate results for a system with Periodic Boundary Condition (PBC) from the conventional DMRG has been a challenging job from the inception of DMRG. The recent development of the Matrix Product State (MPS) algorithm gives a new approach to find accurate results for the one dimensional PBC system. The most efficient implementation of the MPS algorithm can scale as O($p \times m^3$), where $p$ can vary from 4 to $m^2$. In this paper, we propose a new DMRG algorithm, which is very similar to the conventional DMRG and gives comparable accuracy to that of MPS. The computation effort of the new algorithm goes as O($m^3$) and the conventional DMRG code can be easily modified for the new algorithm.Received: 2 August 2016, Accepted: 12 October 2016; Edited by: K. Hallberg; DOI: http://dx.doi.org/10.4279/PIP.080006Cite as: D Dey, D Maiti, M Kumar, Papers in Physics 8, 080006 (2016)This paper, by D Dey, D Maiti, M Kumar, is licensed under the Creative Commons Attribution License 3.0.

arXiv:1605.09301•Papers in Physics•Nov 18, 2016•18 citations

Exploiting translational invariance in matrix product state simulations of spin chains with periodic boundary conditions

B. Pirvu, Frank Verstraete, Guifré Vidal

We present a matrix product state (MPS) algorithm to approximate ground states of translationally invariant systems with periodic boundary conditions. For a fixed value of the bond dimension $D$ of the MPS, we discuss how to minimize the computational cost to obtain a seemingly optimal MPS approximation to the ground state. In a chain with $N$ sites and correlation length $\ensuremath{\xi}$, the computational cost formally scales as $g(D,\ensuremath{\xi}/N){D}^{3}$, where $g(D,\ensuremath{\xi}/N)$ is a nontrivial function. For $\ensuremath{\xi}\ensuremath{\ll}N$, this scaling reduces to ${D}^{3}$, independent of the system size $N$, making our method $N$ times faster than previous proposals. We apply the algorithm to obtain MPS approximations for the ground states of the critical quantum Ising and Heisenberg spin-$1/2$ models as well as for the noncritical Heisenberg spin-$1$ model. In the critical case, for any chain length $N$, we find a model-dependent bond dimension $D(N)$ above which the polynomial decay of correlations is faithfully reproduced throughout the entire system.

arXiv:1005.5195•Physical Review B•Mar 17, 2011•52 citations

Efficient matrix product state methods for extracting spectral information on rings and cylinders

Maarten Van Damme, Robijn Vanhove, Jutho Haegeman +2 more

Based on the matrix product state (MPS) formalism, we introduce an ansatz for capturing excited states in finite systems with open boundary conditions, providing a very efficient method for computing, e.g., the spectral gap of quantum spin chains. This method can be straightforwardly implemented on top of an existing density-matrix renormalization group or MPS ground-state code. Although this approach is built on open-boundary MPSs, we also apply it to systems with periodic boundary conditions. Despite the explicit breaking of translation symmetry by the MPS representation, we show that momentum emerges as a good quantum number and can be exploited for labeling excitations on top of MPS ground states. We apply our method to the critical Ising chain on a ring and the classical Potts model on a cylinder. Finally, we apply the same idea to compute excitation spectra for 2D quantum systems on infinite cylinders. Again, despite the explicit breaking of translation symmetry in the periodic direction, we recover momentum as a good quantum number for labeling excitations. We apply this method to the 2D transverse-field Ising model and the half-filled Hubbard model; for the latter, we obtain accurate results for, e.g., the hole dispersion for cylinder circumferences up to eight sites.

arXiv:2102.10982•Physical review. B./Physical review. B•Sep 21, 2021•36 citations

Stiffness in 1D matrix product states with periodic boundary conditions

Davide Rossini, Vittorio Giovannetti, Rosario Fazio

We discuss in detail a modified variational matrix product state algorithm for periodic boundary conditions, based on a recent work by Pippan et al (2010 Phys. Rev. B 81 081103(R)), which enables one to study large systems on a ring (composed of N ∼ 10 2 sites). In particular, we introduce a couple of improvements allowing us to enhance the algorithm in terms of stability and reliability. We employ such a method to compute the stiffness of one-dimensional strongly correlated quantum lattice systems. The accuracy of our calculations is tested in the exactly solvable spin-1/2 Heisenberg chain.

arXiv:1102.3562•Journal of Statistical Mechanics Theory and Experiment•May 25, 2011•15 citations

Infinite boundary conditions for matrix product state calculations

Ho N. Phien, Guifré Vidal, Ian P. McCulloch

We propose a formalism to study dynamical properties of a quantum many-body system in the thermodynamic limit by studying a finite system with ``infinite boundary conditions'' where both finite-size effects and boundary effects have been eliminated. For one-dimensional systems, infinite boundary conditions are obtained by attaching two boundary sites to a finite system, where each of these two sites effectively represents a semi-infinite extension of the system. One can then use standard finite-size matrix product state techniques to study a region of the system while avoiding many of the complications normally associated with finite-size calculations such as boundary Friedel oscillations. We illustrate the technique with an example of time evolution of a local perturbation applied to an infinite (translationally invariant) ground state, and use this to calculate the spectral function of the $S=1$ Heisenberg spin chain. This approach is more efficient and more accurate than conventional simulations based on finite-size matrix product state and density-matrix renormalization-group approaches.

arXiv:1207.0652•Physical Review B•Dec 10, 2012•94 citations
We introduce an efficient method to calculate the ground state of one-dimensional lattice models with periodic boundary conditions. The method works in the representation of matrix product states (MPS), related to the density matrix renormalization group (DMRG) method. It improves on a previous approach by Verstraete et al. We introduce a factorization procedure for long products of MPS matrices, which reduces the computational effort from m5{m}^{5}m5 to m3{m}^{3}m3, where mmm is the matrix dimension, and m\ensuremath≃100−−1000m\ensuremath{\simeq}100--1000m\ensuremath≃100−−1000 in typical cases. We test the method on the S=12S=\frac{1}{2}S=21​ and S=1S=1S=1 Heisenberg chains. It is also applicable to nontranslationally invariant cases. The method makes ground-state calculations with periodic boundary conditions about as efficient as traditional DMRG calculations for systems with open boundaries.
Efficient MPS Algorithm for Periodic Boundary Conditions and Applications Section: Solid matter Original Author's Text: English Abstract: We present the implementation of an efficient algorithm for the calculation of the spectrum of one-dimensional quantum systems with periodic boundary conditions. This algorithm is based on a matrix product representation for quantum states (MPS) and a similar representation for Hamiltonians and other operators (MPO). It is significantly more efficient for systems of about 100 sites and more than for small quantum systems. We apply the formalism to calculate the ground state and the first excited state of a spin-1 Heisenberg ring and deduce the size of a Haldane gap. The results are compared to previous high-precision DMRG calculations. Furthermore, we study the spin-1 systems with a biquadratic nearest-neighbor interaction and show the first results of an application to a mesoscopic Hubbard ring of spinless fermions, which carries a persistent current. Key words: matrix product representation for quantum states (MPS) and Hamiltonians (MPO), spin-1 Heisenberg ring, density matrix renormalization group (DMRG). List Issues Configure
We present the implementation of an efficient algorithm for the calculation of the spectrum of one-dimensional quantum systems with periodic boundary conditions. This algorithm is based on a matrix product representation for quantum states (MPS) and a similar representation for Hamiltonians and other operators (MPO). It is significantly more efficient for systems of about 100 sites and more than for small quantum systems. We apply the formalism to calculate the ground state and the first excited state of a spin-1 Heisenberg ring and deduce the size of a Haldane gap. The results are compared to previous high-precision DMRG calculations. Furthermore, we study the spin-1 systems with a biquadratic nearest-neighbor interaction and show the first results of an application to a mesoscopic Hubbard ring of spinless fermions, which carries a persistent current.
The Density Matrix Renormalization Group (DMRG) is a state-of-the-art numerical technique for a one dimensional quantum many-body system; but calculating accurate results for a system with Periodic Boundary Condition (PBC) from the conventional DMRG has been a challenging job from the inception of DMRG. The recent development of the Matrix Product State (MPS) algorithm gives a new approach to find accurate results for the one dimensional PBC system. The most efficient implementation of the MPS algorithm can scale as O(p×m3p \times m^3p×m3), where ppp can vary from 4 to m2m^2m2. In this paper, we propose a new DMRG algorithm, which is very similar to the conventional DMRG and gives comparable accuracy to that of MPS. The computation effort of the new algorithm goes as O(m3m^3m3) and the conventional DMRG code can be easily modified for the new algorithm.Received: 2 August 2016, Accepted: 12 October 2016; Edited by: K. Hallberg; DOI: http://dx.doi.org/10.4279/PIP.080006Cite as: D Dey, D Maiti, M Kumar, Papers in Physics 8, 080006 (2016)This paper, by D Dey, D Maiti, M Kumar, is licensed under the Creative Commons Attribution License 3.0.
We present a matrix product state (MPS) algorithm to approximate ground states of translationally invariant systems with periodic boundary conditions. For a fixed value of the bond dimension DDD of the MPS, we discuss how to minimize the computational cost to obtain a seemingly optimal MPS approximation to the ground state. In a chain with NNN sites and correlation length $\ensuremath{\xi}$, the computational cost formally scales as $g(D,\ensuremath{\xi}/N){D}^{3}$, where $g(D,\ensuremath{\xi}/N)$ is a nontrivial function. For $\ensuremath{\xi}\ensuremath{\ll}N$, this scaling reduces to D3{D}^{3}D3, independent of the system size NNN, making our method NNN times faster than previous proposals. We apply the algorithm to obtain MPS approximations for the ground states of the critical quantum Ising and Heisenberg spin-1/21/21/2 models as well as for the noncritical Heisenberg spin-111 model. In the critical case, for any chain length NNN, we find a model-dependent bond dimension D(N)D(N)D(N) above which the polynomial decay of correlations is faithfully reproduced throughout the entire system.
Based on the matrix product state (MPS) formalism, we introduce an ansatz for capturing excited states in finite systems with open boundary conditions, providing a very efficient method for computing, e.g., the spectral gap of quantum spin chains. This method can be straightforwardly implemented on top of an existing density-matrix renormalization group or MPS ground-state code. Although this approach is built on open-boundary MPSs, we also apply it to systems with periodic boundary conditions. Despite the explicit breaking of translation symmetry by the MPS representation, we show that momentum emerges as a good quantum number and can be exploited for labeling excitations on top of MPS ground states. We apply our method to the critical Ising chain on a ring and the classical Potts model on a cylinder. Finally, we apply the same idea to compute excitation spectra for 2D quantum systems on infinite cylinders. Again, despite the explicit breaking of translation symmetry in the periodic direction, we recover momentum as a good quantum number for labeling excitations. We apply this method to the 2D transverse-field Ising model and the half-filled Hubbard model; for the latter, we obtain accurate results for, e.g., the hole dispersion for cylinder circumferences up to eight sites.
We discuss in detail a modified variational matrix product state algorithm for periodic boundary conditions, based on a recent work by Pippan et al (2010 Phys. Rev. B 81 081103(R)), which enables one to study large systems on a ring (composed of N ∼ 10 2 sites). In particular, we introduce a couple of improvements allowing us to enhance the algorithm in terms of stability and reliability. We employ such a method to compute the stiffness of one-dimensional strongly correlated quantum lattice systems. The accuracy of our calculations is tested in the exactly solvable spin-1/2 Heisenberg chain.
We propose a formalism to study dynamical properties of a quantum many-body system in the thermodynamic limit by studying a finite system with ``infinite boundary conditions'' where both finite-size effects and boundary effects have been eliminated. For one-dimensional systems, infinite boundary conditions are obtained by attaching two boundary sites to a finite system, where each of these two sites effectively represents a semi-infinite extension of the system. One can then use standard finite-size matrix product state techniques to study a region of the system while avoiding many of the complications normally associated with finite-size calculations such as boundary Friedel oscillations. We illustrate the technique with an example of time evolution of a local perturbation applied to an infinite (translationally invariant) ground state, and use this to calculate the spectral function of the S=1S=1S=1 Heisenberg spin chain. This approach is more efficient and more accurate than conventional simulations based on finite-size matrix product state and density-matrix renormalization-group approaches.