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arXiv:cond-mat/9708195 · Physical review. B, Condensed matter

Density-matrix renormalization-group study of one-dimensional acoustic phonons

Laurent G. Caron, S. Moukouri

Published Oct 1, 1997• 24 citations
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Abstract

We study the application of the density-matrix renormalization group to systems with one-dimensional acoustic phonons. We show how the use of a local oscillator basis circumvents the difficulties with the long-range interactions generated in real space using the normal phonon basis. When applied to a harmonic atomic chain, we find excellent agreement with the exact solution even when using a modest number of oscillator and block states (a few times ten). We discuss the use of this algorithm in more complex cases and point out its value when other techniques are deficient.

DOI
10.1103/physrevb.56.r8471

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We study the application of the density-matrix renormalization group to systems with one-dimensional acoustic phonons. We show how the use of a local oscillator basis circumvents the difficulties with the long-range interactions generated in real space using the normal phonon basis. When applied to a harmonic atomic chain, we find excellent agreement with the exact solution even when using a modest number of oscillator and block states (a few times ten). We discuss the use of this algorithm in more complex cases and point out its value when other techniques are deficient.
We investigate the application of the density-matrix renormalization group (DMRG) algorithm to a one-dimensional harmonic oscillator chain and compare the results with exact solutions, aiming at improving the algorithm's efficiency. It is demonstrated that the algorithm can show quite accurate results if the procedure is properly organized; for example, by using the optimized bases. The errors of calculated ground state energy and the energy gap between the ground state and the first excited state are analyzed, and they are found to be critically dependent upon the size of the system or the energy level structure of the studied system and the number of states targeted during the DMRG procedure.
A variant of White's density-matrix renormalization-group scheme, which is designed to compute low-lying energies of one-dimensional quantum lattice models with a large number of degrees of freedom per site is described. The method is tested on two exactly solvable models---the spin-12\frac{1}{2}21​ antiferromagnetic Heisenberg chain and a dimerized XY\mathrm{XY}XY spin chain. To illustrate the potential of the method, it is applied to a model of spins interacting with quantum phonons. It is shown that the method accurately resolves a number of energy gaps on periodic rings that are sufficiently large to afford an accurate investigation of critical properties via the use of finite-size scaling theory.
We introduce a hybrid approach to applying the density matrix renormalization group to continuous systems, combining a grid approximation along one direction with a finite Gaussian basis set for the remaining two directions. This approach is especially useful for chainlike molecules, where the grid is used in the long direction. For hydrogen chain systems, the computational time scales approximately linearly with the number of atoms, as we show with near-exact minimal basis set calculations with up to 1000 atoms. The linear scaling comes from both the localization of the basis and a compression method for the long-ranged two-electron interaction. For shorter hydrogen chains, we show results with up to triple-ζ bases.
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.