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arXiv:cond-mat/0102200 · Physical review. B, Condensed matter

Two-dimensional algorithm of the density-matrix renormalization group

Tao Xiang, Jizhong Lou, Zhao-Bin Su

Published Aug 21, 2001• 76 citations
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Abstract

We propose an approach to implement the density-matrix renormalization group (DMRG) in two dimensions. With this approach the initial blocks of a $L\ifmmode\times\else\texttimes\fi{}L$ lattice are built up directly from the matrix elements of a $(L\ensuremath{-}1)\ifmmode\times\else\texttimes\fi{}(L\ensuremath{-}1)$ lattice and the topological characteristics of two-dimensional lattices are preserved in the iteration of DMRG. By applying it to the spin-1/2 Heisenberg model on both square and triangular lattices, we find that this approach is significantly more efficient and accurate than other two-dimensional DMRG methods currently in use.

DOI
10.1103/physrevb.64.104414

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We propose an approach to implement the density-matrix renormalization group (DMRG) in two dimensions. With this approach the initial blocks of a L\ifmmode×\else\texttimes\fiLL\ifmmode\times\else\texttimes\fi{}LL\ifmmode×\else\texttimes\fiL lattice are built up directly from the matrix elements of a (L\ensuremath−1)\ifmmode×\else\texttimes\fi(L\ensuremath−1)(L\ensuremath{-}1)\ifmmode\times\else\texttimes\fi{}(L\ensuremath{-}1)(L\ensuremath−1)\ifmmode×\else\texttimes\fi(L\ensuremath−1) lattice and the topological characteristics of two-dimensional lattices are preserved in the iteration of DMRG. By applying it to the spin-1/2 Heisenberg model on both square and triangular lattices, we find that this approach is significantly more efficient and accurate than other two-dimensional DMRG methods currently in use.
A density matrix renormalization group (DMRG) approach is presented for quantum systems of two spatial dimensions. In particular, it is shown that it is possible to create a multichain-type two-dimensional (2D) DMRG approach that utilizes previously determined system and environment blocks at all points. One first builds up an effective quasi-1D system and environment blocks of width L and these quasi-1D blocks are then used to as the initial building blocks of the 2D infinite-lattice algorithm introduced here. This algorithm is found to be competitive with those results of previous 2D DMRG algorithms and also of the best of other approximate methods. An illustration of this is given for the spin-half and spin-one Heisenberg models on the square lattice. The best results for the ground-state energies per bond of the spin-half and spin-one square-lattice Heisenberg antiferromagnets for the $N=20\ifmmode\times\else\texttimes\fi{}20$ lattice using this treatment are given by ${E}_{g}{/N}_{B}=\ensuremath{-}0.3321$ and ${E}_{g}{/N}_{B}=\ensuremath{-}1.1525,$ respectively.
A density-matrix renormalization-group (DMRG) method for highly anisotropic two-dimensional (2D) systems is presented. The method consists of applying the usual DMRG in two steps. In the first step, a pure one-dimensional calculation along the longitudinal direction is made in order to generate a low-energy Hamiltonian. In the second step, the anisotropic 2D lattice is obtained by coupling in the transverse direction the 1D Hamiltonians. The method is applied to the anisotropic quantum spin-half Heisenberg model on a square lattice.
We demonstrate how to parallelize the density matrix renormalization group (DMRG) algorithm in real space through a straightforward modification of serial DMRG. This makes it possible to apply at least an order of magnitude more computational power to challenging simulations, greatly accelerating investigations of two-dimensional systems and large parameter spaces. We discuss details of the algorithm and present benchmark results including a study of valence-bond-solid order within the square-lattice Q2{Q}_{2}Q2​ model and N\'eel order within the triangular lattice Heisenberg model. The parallel DMRG algorithm also motivates an alternative canonical form for matrix product states.
It has proved difficult to extend the density-matrix renormalization-group technique to large two-dimensional systems. I here present an approach where the calculation is done directly in two dimensions. This makes it possible to use an infinite-system method, and the fixed point in two dimensions is studied. By applying several related blocking schemes to the two-dimensional Heisenberg model I find that there exists an algorithm for which the energy per site decreases monotonically as the system size increases, thereby showing the potential feasibility of this method.
In order to extend the density-matrix renormalization-group (DMRG) method to two-dimensional systems, we formulate two alternative methods to prepare the initial states. We find that the number of states that is needed for accurate energy calculations grows exponentially with the linear system size. We also analyze how the states kept in the DMRG method manage to preserve both the intrablock and interblock Hamiltonians, which is the key to the high accuracy of the method. We also prove that the energy calculated on a finite cluster is always a variational upper bound.