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arXiv:cond-mat/0402530

Renormalization group method for weakly coupled quantum chains: comparison with exact diagonalization

Jose Vicente Alvarez, S. Moukouri

Published Feb 20, 2004• 0 citations
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Abstract

We show that numerical quasi-one-dimensional renormalization group allows accurate study of weakly coupled chains with modest computational effort. We perform a systematic comparison with exact diagonalization results in two and three-leg spin ladders with a transverse Hamiltonian that can involve frustration. Due to the variational nature of the algorithm, the accuracy can be arbitrarily improved enlarging the basis of eigenstates of the density matrix defined in the transverse direction. We observe that the precision of the algorithm is directly correlated to the binding of the chains. We also show that the method performs especially well in frustrated systems.

DOI
10.48550/arxiv.cond-mat/0402530

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We show that numerical quasi-one-dimensional renormalization group allows accurate study of weakly coupled chains with modest computational effort. We perform a systematic comparison with exact diagonalization results in two and three-leg spin ladders with a transverse Hamiltonian that can involve frustration. Due to the variational nature of the algorithm, the accuracy can be arbitrarily improved enlarging the basis of eigenstates of the density matrix defined in the transverse direction. We observe that the precision of the algorithm is directly correlated to the binding of the chains. We also show that the method performs especially well in frustrated systems.
We show that numerical quasi-one-dimensional renormalization group allows accurate study of weakly coupled spin chains with modest computational effort. We perform a systematic comparison with exact diagonalization results in two- and three-leg spin ladders with a transverse Hamiltonian that can involve frustration. Due to the variational nature of the algorithm, the accuracy can be arbitrarily improved enlarging the basis of eigenstates in the transverse direction. We observe that the precision of the algorithm is directly correlated to the binding of the chains. We also show that the method performs especially well in magnetically frustrated systems.
The Kato-Bloch perturbation formalism is used to present a density-matrix renormalization-group method for strongly anisotropic two-dimensional systems. This method is used to study Heisenberg chains weakly coupled by the transverse couplings ${J}_{\ensuremath{\perp}}$ and Jd{J}_{d}Jd​ (along the diagonals). An extensive comparison of the renormalization group and quantum Monte Carlo results for parameters where the simulations by the latter method are possible shows a very good agreement between the two methods. It is found, by analyzing ground state energies and spin-spin correlation functions, that there is a transition between two ordered magnetic states. When ${J}_{d}∕{J}_{\ensuremath{\perp}}\ensuremath{\lesssim}0.5$, the ground state displays a N\'eel order. When ${J}_{d}∕{J}_{\ensuremath{\perp}}\ensuremath{\gtrsim}0.5$, a collinear magnetic ground state in which interchain spin correlations are ferromagnetic becomes stable. In the vicinity of the transition point, ${J}_{d}∕{J}_{\ensuremath{\perp}}\ensuremath{\approx}0.5$, the ground state is disordered. But, the nature of this disordered ground state is unclear. While the numerical data seem to show that the chains are disconnected, the possibility of a genuine disordered two-dimensional state, hidden by finite size effects, cannot be excluded.
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.
I apply a two-step density-matrix renormalization group method to the anisotropic two-dimensional Hubbard model. As a prelude to this study, I compare the numerical results to the exact one for the tight-binding model. I find a ground-state energy which agrees with the exact value up to four digits for systems as large as $24\ifmmode\times\else\texttimes\fi{}25$. I then apply the method to the interacting case. I find that for strong Hubbard interaction, the ground state is dominated by magnetic correlations. These correlations are robust even in the presence of strong frustration. Interchain pair tunneling is negligible in the singlet and triplet channels and is not enhanced by frustration. For weak Hubbard couplings, due to interchain interaction, interchain nonlocal singlet pair tunneling is enhanced and magnetic correlations are strongly reduced. This suggests a possible superconductive ground state. The pairing mechanism is reminiscent of the Kohn-Luttinger mechanism.
We parallelize the density-matrix renormalization group method to directly extend it to two-dimensional ( n -leg) quantum lattice models. The parallelization is performed mainly on the diagonalization for the superblock Hamiltonian since this step requires enormous memory space as the leg number n increases. The superblock Hamiltonian is divided into three parts, and the corresponding superblock vectors are transformed into matrices whose elements are uniformly distributed into processors. Parallel efficiency increases as the number of states kept, m , increases, and the obtained ground-state energy rapidly converges within a few sweeps. Furthermore, the present algorithm applied to doped 4-leg Hubbard ladders reaches their ground states, which satisfy the Lieb–Mattis theorem with m much smaller than those used in different indirect algorithms.
White's density-matrix renormalization-group (DMRG) method has been applied to the one-dimensional Ising model in a transverse field (ITF), in order to study the accuracy of the numerical algorithm. Due to the exact solubility of the ITF for any finite chain length, the errors introduced by the basis truncation procedure could have been directly analyzed. By computing different properties, like the energies of the low-lying levels or the ground-state one- and two-point correlation functions, we obtained a detailed picture of how these errors behave as functions of the various model and algorithm parameters. Our experience with the ITF contributes to a better understanding of the DMRG method, and may facilitate its optimization in other applications.