Cluster Algorithms for General-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="italic">S</mml:mi></mml:math>Quantum Spin Systems

Synge Todo, Kiyoshi Katō

Physical Review Letters · 2001 · 269 citations · 20 references

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Abstract

We present a general strategy to extend quantum cluster algorithms for $S\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}\frac{1}{2}$ spin systems, such as the loop algorithm, to those with an arbitrary size of spins. The partition function of a high- $S$ spin system is generally represented by the path integral of a $S\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}\frac{1}{2}$ model with special boundary conditions in the imaginary-time direction. We introduce additional graphs for the boundary part and give the labeling probability explicitly, which completes the algorithm together with an existing $S\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}\frac{1}{2}$ algorithm. As a demonstration, we simulate the integer-spin antiferromagnetic Heisenberg chains. The magnitude of the first excitation gap is estimated to be 0.41048(6), 0.08917(4), and 0.01002(3) for $S\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}1$, 2, and 3, respectively.

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