Aw. Sandvik et al., QUANTUM MONTE-CARLO IN THE INTERACTION REPRESENTATION - APPLICATION TO A SPIN-PEIERLS MODEL, Physical review. B, Condensed matter, 56(22), 1997, pp. 14510-14528
A quantum Monte Carlo algorithm is constructed starting from the stand
ard perturbation expansion in the interaction representation, The resu
lting configuration space is strongly related to that of the stochasti
c series expansion (SSE) method, which is based on a direct power-seri
es expansion of exp(-beta H). Sampling procedures previously developed
for the SSE method can therefore be used also in the interaction repr
esentation formulation, The method is tested on the S=1/2 Heisenberg c
hain. Then, as an application to a model of great current interest, a
Heisenberg chain including phonon degrees of freedom is studied. Einst
ein phonons are coupled to the spins via a linear modulation of the ne
arest-neighbor exchange. The simulation algorithm is implemented in th
e phonon occupation-number basis, without Hilbert space truncations, a
nd is exact. Results are presented for the magnetic properties of the
system in a wide temperature regime, including the T-->0 limit where:
the drain undergoes a spin-Peierls transition. Some aspects of the pho
non dynamics are also discussed. The results suggest that the effects
of dynamic phonons in spin-Peierls compounds such as GeCuO3; and alpha
'-NaV2O5 must be included In order to obtain a correct quantitative de
scription of their magnetic properties,both above and below the dimeri
zation temperature.