We introduce a quantum Monte Carlo (QMC) method for efficient sign-problem-free simulations of a broad class of frustrated S =1/2 antiferromagnets using the basis of spin eigenstates of clusters to avoid the severe sign problem faced by other QMC methods. We demonstrate the utility of the method in several cases with competing exchange interactions and flag important limitations as well as possible extensions of the method.

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Published in Physical Review Letters, v. 117, issue 19, 197293, p. 1-7.

© 2016 American Physical Society

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This work was supported by the Indo-French Centre for the Promotion of Advanced Research (IFCPAR/CEFIPRA Project 4504-1) and performed using numerical resources from GENCI (Grants No. 2014-x2014050225 and No. 2015-x2015050225) and CALMIP.

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Our QMC code is based on the SSE code of the ALPS libraries (see references 58 and 68).

PhysRevLett.117.197203_supplement.pdf (572 kB)
This Supplemental Material file provides some additional technical details and a description of one dimensional examples which were used to benchmark the method.

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