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arXiv:cond-mat/9804134 · Journal of the Physical Society of Japan

A Density Matrix Algorithm for 3D Classical Models

Tomotoshi Nishino, Kouichi Okunishi

Published Sep 1, 1998• 107 citations
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Abstract

We generalize the corner transfer matrix renormalization group, which consists of White's density matrix algorithm and Baxter's method of the corner transfer matrix, to three dimensional (3D) classical models. The renormalization group transformation is obtained through the diagonalization of density matrices for a cubic cluster. A trial application for 3D Ising model with m=2 is shown as the simplest case.

DOI
10.1143/jpsj.67.3066

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We generalize the corner transfer matrix renormalization group, which consists of White's density matrix algorithm and Baxter's method of the corner transfer matrix, to three dimensional (3D) classical models. The renormalization group transformation is obtained through the diagonalization of density matrices for a cubic cluster. A trial application for 3D Ising model with m=2 is shown as the simplest case.
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We present a new algorithm to calculate the thermodynamic quantities of three-dimensional (3D) classical statistical systems, based on the ideas of the tensor product state and the density matrix renormalization group. We represent the maximum-eigenvalue eigenstate of the transfer matrix as the product of local tensors that are iteratively optimized by the use of the "vertical density matrix" formed by cutting the system along the transfer direction. This algorithm, which we call vertical density matrix algorithm (VDMA), is successfully applied to the 3D Ising model. Using the Suzuki-Trotter transformation, we can also apply the VDMA to 2D quantum systems, which we demonstrate for the 2D transverse field Ising model.
The concept of the corner transfer matrix (CTM) was first discovered by Baxter in 1968, when he derived a set of variational matrix equations, which for finite matrix sizes, could be numerically solved to obtain a sequence of approximations for the statistical mechanical properties of a system of monomers and dimers on a rectangular lattice [1]. It was not until 1978, however, in a seminal paper entitled "Variational Approximations for Square Lattice Models in Statistical Mechanics" [4], that Baxter outlined his CTM variational method, which brought to light the potential power of the former objects to obtain numerics and series expansions for unsolved models and to calculate the order parameter of solved ones. Subsequent numerical work led to the realisation that the method, though general, was not very efficient; and increasing efficiency required making model specific modifications, which restricted the transferability of the resulting algorithm to other models. The CTM variational method was thus not widely adopted, despite holding much promise. More recently, however, Nishino and Okunishi discovered that White's density matrix renormalisation group (DMRG) algorithm [55, 56] could be efficiently extended to study two-dimensional classical lattice models, if the density matrix was approximated by Baxters CTMs. Numerical tests of their algorithm, the corner transfer matrix renormalisation group (CTMRG) method, were met with much success. Notable among these is its implementation within the infinite projected entangled-pair states (iPEPS) algorithm of Orus and Vidal to simulate the ground state of infinite two-dimensional quantum systems. In this thesis we review CTM derived variational methods: Baxter's original CTM iterative method, and developments of the CTM concept within the DMRG algorithm by Nishino and Okunishi, which led to the CTMRG method to calculate critical phenomena of classical and quantum systems. This will begin with elucidating the theoretical formalisms of both methods in two dimensions and their generalisations to three dimensions; followed by review of important application, namely, within the iPEPS algorithm of Orus and Vidal to numerically study infinite planar quantum systems.