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Nuclear Physics B

A Monte Carlo calculation of the structure factor of the 1D - Heisenberg antiferromagnet

J. Borysowicz, Adriana Moreo, T. A. Kaplan, Kenn Kubo

Published Jan 1, 1988• 4 citations
Publisher
DOI
10.1016/0550-3213(88)90600-1

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We used a combination of the quantum Monte Carlo technique and the maximum entropy method to calculate the dynamic structure factor of the quantum Heisenberg antiferromagnet. The dynamics is governed by renormalized damped spin waves and we calculate their frequencies and linewidths. The computed spin-wave dispersion is in quantitative agreement with inelastic-neutron-scattering experiments on La2{\mathrm{La}}_{2}La2​CuO4{\mathrm{CuO}}_{4}CuO4​. The low-energy sector exhibits scaling behavior with the characteristic frequency scale, which is inversely proportional to the correlation length.
The S=1 isotropic antiferromagnetic Heisenberg chain is studied by exact diagonalizations using the Lancz\"os algorithm. Energy gaps, structure factors at k=\ensuremath{\pi}, and staggered susceptibilities at T=0 are calculated for finite rings up to N=16, and extrapolated to an infinite system using Shanks' transformation. The estimated energy gap is 0.411\ifmmode\pm\else\textpm\fi{}0.001, which agrees with the result of Monte Carlo calculations by Nightingale and Bl\"ote. Further, it is found that a finite-size correction decays exponentially and the decay constant corresponds with the correlation length, which is about 5.
An efficient Monte Carlo method is proposed to calculate the elementary excitation spectrum of quantum systems. The lowest energy with arbitrary momentum is obtained by the projector Monte Carlo method. This is applied to the spin-(1/2 and -1 Heisenberg antiferromagnetic chain with length 32. For the S=(1/2 case, the spectrum coincides completely with the spectrum of des Cloiseaux and Pearson. For the S=1 case, the spectrum has a gap at momentum \ensuremath{\pi} as was predicted by Haldane. The value of the gap coincides with the calculation of Nightingale and Blote. The spectrum satisfies a variational relation with the structure factor.