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arXiv:1303.1333 · Ukrainian Journal of Physics

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

Published Jul 1, 2013• 12 citations
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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.

DOI
10.15407/ujpe58.07.0657

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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.
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 $m\ensuremath{\simeq}100--1000$ 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.
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.
Abstract This article concerns the matrix product operators for one-dimensional spin Hamiltonians under open and periodic boundary conditions. A novel approach called ‘the dynamics of blocks’ is proposed to obtain the matrix product operators in the case of Hamiltonians with periodic boundary conditions. This approach works universally for any Hamiltonian with two-particle as well as single-particle interactions. The main significance of the proposed approach is that, the dimensions of the matrix product operators obtained are the same for both open and periodic boundary conditions. This method gives us a generic way of constructing MPOs for any Hamiltonian with arbitrary neighboring interactions, immaterial of how the interaction strength falls. A general numerical implementation of the ‘dynamics of blocks’ method is also carried out. The DMRG algorithm was implemented, and the ground state eigenvalue was obtained using these MPOs to numerically validate the method.
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.
Exact diagonalization is a powerful tool to study fractional quantum Hall (FQH) systems. However, its capability is limited by the exponentially increasing computational cost. In order to overcome this difficulty, density-matrix-renormalization-group (DMRG) algorithms were developed for much larger system sizes. Very recently, it was realized that some model FQH states have exact matrix-product-state (MPS) representation. Motivated by this, here we report a MPS code, which is closely related to, but different from traditional DMRG language, for finite FQH systems on the cylinder geometry. By representing the many-body Hamiltonian as a matrix-product-operator (MPO) and using single-site update and density matrix correction, we show that our code can efficiently search the ground state of various FQH systems. We also compare the performance of our code with traditional DMRG. The possible generalization of our code to infinite FQH systems and other physical systems is also discussed.