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arXiv:cond-mat/0504717 · Physical Review B

Renormalization algorithm for the calculation of spectra of interacting quantum systems

Diego Porras, Frank Verstraete, J. I. Cirac

Published Jan 13, 2006• 65 citations
arXivHTMLPDF

Abstract

We present an algorithm for the calculation of eigenstates with definite linear momentum in quantum lattices. Our method is related to the density matrix renormalization group, and makes use of the distribution of multipartite entanglement to build variational wave functions with translational symmetry. The algorithm is applied to the study of bilinear-biquadratic $S=1$ chains, in particular to the region of phase space between the dimerized and ferromagnetic phases.

DOI
10.1103/physrevb.73.014410

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We present an algorithm for the calculation of eigenstates with definite linear momentum in quantum lattices. Our method is related to the density matrix renormalization group, and makes use of the distribution of multipartite entanglement to build variational wave functions with translational symmetry. The algorithm is applied to the study of bilinear-biquadratic S=1S=1S=1 chains, in particular to the region of phase space between the dimerized and ferromagnetic phases.
The density matrix renormalization group (DMRG) method generates the low-energy states of linear systems of NNN sites with a few degrees of freedom at each site by starting with a small system and adding sites step by step while keeping constant the dimension of the truncated Hilbert space. DMRG algorithms are adapted to open chains with inversion symmetry at the central site, to cyclic chains and to weakly coupled chains. Physical properties rather than energy accuracy is the motivation. The algorithms are applied to the edge states of linear Heisenberg antiferromagnets with spin S≥1S \ge 1S≥1 and to the quantum phases of a frustrated spin-1/2 chain with exchange between first and second neighbors. The algorithms are found to be accurate for extended Hubbard and related 1D models with charge and spin degrees of freedom.
A formulation of numerical real-space renormalization groups for quantum many-body problems is presented and several algorithms utilizing this formulation are outlined. The methods are presented and demonstrated using S=1/2 and S=1 Heisenberg chains as test cases. The key idea of the formulation is that rather than keep the lowest-lying eigenstates of the Hamiltonian in forming a new effective Hamiltonian of a block of sites, one should keep the most significant eigenstates of the block density matrix, obtained from diagonalizing the Hamiltonian of a larger section of the lattice which includes the block. This approach is much more accurate than the standard approach; for example, energies for the S=1 Heisenberg chain can be obtained to an accuracy of at least ${10}^{\mathrm{\ensuremath{-}}9}$. The method can be applied to almost any one-dimensional quantum lattice system, and can provide a wide variety of static properties.
A variant of White's density-matrix renormalization-group scheme, which is designed to compute low-lying energies of one-dimensional quantum lattice models with a large number of degrees of freedom per site is described. The method is tested on two exactly solvable models---the spin-12\frac{1}{2}21​ antiferromagnetic Heisenberg chain and a dimerized XY\mathrm{XY}XY spin chain. To illustrate the potential of the method, it is applied to a model of spins interacting with quantum phonons. It is shown that the method accurately resolves a number of energy gaps on periodic rings that are sufficiently large to afford an accurate investigation of critical properties via the use of finite-size scaling theory.
The application of real space renormalization group methods to quantum lattice models has become a topic of great interest following the development of the density matrix renormalization group by White.This method has been used to find the ground and low-lying excited state energies and wave functions of quantum spin models in which the form of the ground state is not clear, for instance because the interactions are frustrated.It has also been applied to fermion problems where the tendency for localization due to the strong Coulomb repulsion is opposed by the lowering of the kinetic energy which occurs as a result of electron transfer.The approach is particularly suitable for one-, or quasi-one-dimensional problems.The method involves truncating the Hilbert space in a systematic and optimised manner.Results for the ground state energy are thus variational bounds.The results for low-lying energies and correlation functions for one-dimensional systems have unprecedented accuracy and the method has become the method of choice for solving one-dimensional quantum spin problems.We review the method and results obtained for the spin-1 chain with biquadratic exchange as well as the spin-1/2 model with competing nearest and next nearest neighbour exchange will be described.More recently, the density matrix renormalization group has been applied to reformulate the coupling constant renormalization group approach which is appropriate for the study of critical properties.This approach has been applied to the anisotropic spin-1/2 Heisenberg chain.Finally, we discuss recent work which has borne promising applications in two dimensions -the Ising model and the two-dimensional Hubbard model.
We develop a density matrix renormalization group (DMRG) algorithm for constrained quantum lattice models that successfully {\it{implements the local constraints as symmetries in the contraction of the matrix product states and matrix product operators}}. Such an implementation allows us to investigate a quantum dimer model in DMRG for any lattice geometry wrapped around a cylinder with substantial circumference. We have thence computed the ground state phase diagram of the quantum dimer model on triangular lattice, with the symmetry-breaking characteristics of the columnar solid phase and 12×12\sqrt{12}\times\sqrt{12}12​×12​ valence bond solid phase fully captured, as well as the topological entanglement entropy of the Z2\mathbb{Z}_2Z2​ quantum spin liquid phase that extends to the RK point on non-bipartite lattice accurately revealed. Our DMRG algorithm on constrained quantum lattice models opens new opportunities for matrix and tensor-based algorithms for these systems that have immediate relevance towards the frustrated quantum magnets and synthetic quantum simulators.
We present a simple method, combining the density-matrix renormalization-group algorithm with finite-size scaling, which permits the study of critical behavior in quantum spin chains. Spin moments and dimerization are induced by boundary conditions at the chain ends and these exhibit power-law decay at critical points. Results are presented for the spin-1/21/21/2 Heisenberg antiferromagnet; an analytic calculation shows that logarithmic corrections to scaling can sometimes be avoided. We also examine the spin-1 chain at the critical point separating the Haldane gap and dimerized phases. Exponents for the dimer-dimer and the spin-spin correlation functions are consistent with results obtained from bosonization.