Comment on "Equivalence of the variational matrix product method and the density matrix renormalization group applied to spin chains"

Dukelsky, Mart\'in-Delgado, Nishino and Sierra (Europhys. Lett., 43, 457 (1998) - hereafter referred to as DMNS) investigated the matrix product method (MPM), comparing it with the infinite-size density matrix renormalization group (DMRG). For equivalent basis size, the MPM produces an improved variational energy over that produced by DMRG and, unlike DMRG, produces a translationally-invariant wavefunction. The DMRG results presented were significantly worse than the MPM, caused by a shallow bound state appearing at the join of the two DMRG blocks. They also suggested that the DMRG results can be improved by using an alternate superblock construction $[B] \bullet [B]$ for the last few steps of the calculation. In this comment, we show that the DMRG results presented by DMNS are in error and the artificial bound state produced by the standard superblock configuration is very small even for $m=2$ states kept. In addition, we calculate explicitly the energy and wavefunction for the $[B] \bullet [B]$ superblock structure and verify that the energy coincides with that of the MPM, as conjectured by S. Ostlund and S. Rommer (Phys. Rev. Lett., 75, 3537 (1995)).Comment: 2 pages, 1 eps figure included. eps.cls include

Particle number conservation in quantum many-body simulations with matrix product operators

Incorporating conservation laws explicitly into matrix product states (MPS) has proven to make numerical simulations of quantum many-body systems much less resources consuming. We will discuss here, to what extent this concept can be used in simulation where the dynamically evolving entities are matrix product operators (MPO). Quite counter-intuitively the expectation of gaining in speed by sacrificing information about all but a single symmetry sector is not in all cases fulfilled. It turns out that in this case often the entanglement imposed by the global constraint of fixed particle number is the limiting factor.Comment: minor changes, 18 pages, 5 figure

Generic Construction of Efficient Matrix Product Operators

Matrix Product Operators (MPOs) are at the heart of the second-generation Density Matrix Renormalisation Group (DMRG) algorithm formulated in Matrix Product State language. We first summarise the widely known facts on MPO arithmetic and representations of single-site operators. Second, we introduce three compression methods (Rescaled SVD, Deparallelisation and Delinearisation) for MPOs and show that it is possible to construct efficient representations of arbitrary operators using MPO arithmetic and compression. As examples, we construct powers of a short-ranged spin-chain Hamiltonian, a complicated Hamiltonian of a two-dimensional system and, as proof of principle, the long-range four-body Hamiltonian from quantum chemistry.Comment: 13 pages, 10 figure

Spin-1 Heisenberg antiferromagnetic chain with exchange and single-ion anisotropies

Using density matrix renormalization group calculations, ground state properties of the spin-1 Heisenberg chain with exchange and single-ion anisotropies in an external field are studied. Our findings confirm and refine recent results by Sengupta and Batista, Physical Review Letters 99, 217205 (2007) (2007), on the same model applying Monte Carlo techniques. In particular, we present evidence for two types of biconical (or supersolid) and for two types of spin-flop (or superfluid) structures. Basic features of the quantum phase diagram may be interpreted qualitatively in the framework of classical spin models.Comment: Ref. 1 corrected (also in the abstract

Biorthonormal Matrix-Product-State Analysis for Non-Hermitian Transfer-Matrix Renormalization-Group in the Thermodynamic Limit

We give a thorough Biorthonormal Matrix-Product-State (BMPS) analysis of the Transfer-Matrix Renormalization-Group (TMRG) for non-Hermitian matrices in the thermodynamic limit. The BMPS is built on a dual series of reduced biorthonormal bases for the left and right Perron states of a non-Hermitian matrix. We propose two alternative infinite-size Biorthonormal TMRG (iBTMRG) algorithms and compare their numerical performance in both finite and infinite systems. We show that both iBTMRGs produce a dual infinite-BMPS (iBMPS) which are translationally invariant in the thermodynamic limit. We also develop an efficient wave function transformation of the iBTMRG, an analogy of McCulloch in the infinite-DMRG [arXiv:0804.2509 (2008)], to predict the wave function as the lattice size is increased. The resulting iBMPS allows for probing bulk properties of the system in the thermodynamic limit without boundary effects and allows for reducing the computational cost to be independent of the lattice size, which are illustrated by calculating the magnetization as a function of the temperature and the critical spin-spin correlation in the thermodynamic limit for a 2D classical Ising model.Comment: 14 pages, 9 figure