J. Deisz et al., DYNAMICAL PROPERTIES OF ONE-DIMENSIONAL ANTIFERROMAGNETS - A MONTE-CARLO STUDY, Physical review. B, Condensed matter, 48(14), 1993, pp. 10227-10239
A combination of world-line quantum Monte Carlo and maximum-entropy me
thods is used to calculate the dynamic structure factor S(alphaalpha)(
q,omega) for one-dimensional antiferromagnets. A comparison to exact r
esults demonstrates that qualitative features of spectra are reproduce
d, but are broadened. The broadening is frequency dependent with low-f
requency features being reproduced most accurately. Peak positions are
well described. Results for the Heisenberg model with S less-than-or-
equal-to 2 demonstrate the qualitative difference between the dynamics
of half-integer and integer spins predicted by Haldane. From the posi
tions of the low-temperature q = pi peaks quantitative estimates are p
roduced for the S = 1 and 2 gaps. The q = pi peak position for S = 1 i
ncreases with temperature in agreement with experiment. When on-site a
nisotropy is included for S = 1 a gap splitting results that resembles
that found for NENP [Ni(C2H8N2)2NO2ClO4].