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arXiv:cond-mat/9705301

Transfer Matrix DMRG for Thermodynamics of One-Dimensional Quantum Systems

Xiaoqun Wang, Tao Xiang

Published May 29, 1997• 5 citations
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Abstract

The transfer matrix DMRG method for one dimensional quantum lattice systems has been developed by considering the symmetry property of the transfer matrix and introducing the asymmetric reduced density matrix. We have evaluated a number of thermodynamic quantities of the anisotropic spin-1/2 Heisenberg model using this method and found that the results agree very accurately with the exact ones. The relative errors for the spin susceptibility are less than $10^{-3}$ down to $T=0.01J$ with 80 states kept.

DOI
10.48550/arxiv.cond-mat/9705301

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The transfer matrix DMRG method for one dimensional quantum lattice systems has been developed by considering the symmetry property of the transfer matrix and introducing the asymmetric reduced density matrix. We have evaluated a number of thermodynamic quantities of the anisotropic spin-1/2 Heisenberg model using this method and found that the results agree very accurately with the exact ones. The relative errors for the spin susceptibility are less than 10−310^{-3}10−3 down to T=0.01JT=0.01JT=0.01J with 80 states kept.
The transfer-matrix density-matrix renormalization-group method for one-dimensional quantum lattice systems has been developed by considering the symmetry property of the transfer matrix and introducing the asymmetric reduced density matrix. We have evaluated a number of thermodynamic quantities of the anisotropic spin-1/2 Heisenberg model using this method and found that the results agree very accurately with the exact ones. The relative errors for the spin susceptibility are less than ${10}^{\ensuremath{-}3}$ down to T=0.01JT=0.01JT=0.01J with 80 states kept.
The density matrix renormalization group (DMRG) method is applied to the anisotropic Heisenberg chain at finite temperatures. The free energy of the system is obtained using the quantum transfer matrix which is iteratively enlarged in the imaginary time direction. The magnetic susceptibility and the specific heat are calculated down to T=0.01J and compared with the Bethe ansatz results. The agreement including the logarithmic correction in the magnetic susceptibility at the isotropic point is fairly good.
The density matrix renormalization group (DMRG) is a numerical method for studying low dimensional strongly correlated models. The study of these models is one of the most active areas of condensed matter physics today and has been spurred not only by the discovery of high temperature superconductivity but also by experiments on new compounds. In this thesis we study fundamentals of the density matrix renormalization group method as well as applications of the method to Heisenberg spin chains. The introductory text is meant as a brief overview of the DMRG as well as Heisenberg spin systems and provides an introduction to the papers. In papers I and II we investigate the density matrix renormalization group with the aim to better understand the underlying structure of the method. We find that if the renormalization converges to a fixed point in the thermodynamic limit, the resulting basis states can be written as a matrix product form. We also show an explicit relation of the DMRG to variational calculations using the fact that the matrix product states can be rederived through a variational ansatz without any reference to the DMRG calculation. It is then shown how the matrix product states can be used to define a set of Bloch waves for describing elementary excitations of the Heisenberg spin-1 chain. The low lying energy spectrum is calculated. In papers III and IV we investigate the thermodynamics of impurities in a spin-1/2 chain. For this purpose we have shown that a recently developed transfer matrix DMRG method can be used to calculate impurity properties. Both impurity corrections to thermodynamic properties and local properties at finite temperature can be obtained. The method gives quicker and more accurate results than quantum Monte Carlo. The numerical results show good agreement with field theory calculations for a number of impurity configurations and the cross-over function for the magnetic susceptibility from high- to low-temperature behavior shows the expected data collapse. Our results also give quantitative predictions for experiments on doped spin-1/2 chains.
The density-matrix renormalization group (DMRG) applied to transfer matrices allows it to calculate static as well as dynamical properties of one-dimensional quantum systems at finite temperature in the thermodynamic limit. To this end the quantum system is mapped onto a two-dimensional classical system by a Trotter-Suzuki decomposition. Here we discuss two different mappings: The standard mapping onto a two-dimensional lattice with checkerboard structure as well as an alternative mapping introduced by two of us. For the classical system an appropriate quantum transfer matrix is defined which is then treated using a DMRG scheme. As applications, the calculation of thermodynamic properties for a spin-1/2 Heisenberg chain in a staggered magnetic field and the calculation of boundary contributions for open spin chains are discussed. Finally, we show how to obtain real time dynamics from a classical system with complex Boltzmann weights and present results for the autocorrelation function of the XXZ-chain.
We propose a new method for the calculation of thermodynamic properties of one-dimensional quantum systems by combining the TMRG approach with the corner transfer-matrix method. The corner transfer-matrix DMRG method brings reasonable advantage over TMRG for classical systems. We have modified the concept for the calculation of thermal properties of one-dimensional quantum systems. The novel QCTMRG algorithm is implemented and used to study two simple test cases, the classical Ising chain and the isotropic Heisenberg model. In a discussion, the advantages and challenges are illuminated.
We propose a new method for the calculation of thermodynamic properties of one-dimensional quantum systems by combining the TMRG approach with the corner transfer-matrix method. The corner transfer-matrix DMRG method brings reasonable advantage over TMRG for classical systems. We have modified the concept for the calculation of thermal properties of one-dimensional quantum systems. The novel QCTMRG algorithm is implemented and used to study two simple test cases, the classical Ising chain and the isotropic Heisenberg model. In a discussion, the advantages and challenges are illuminated.