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Resummation-based quantum Monte Carlo vis-à-vis sign-problematic \(S=\frac{1}{2}\) Heisenberg models on canonical geometrically frustrated lattices

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Abstract

We show here that a direct application of resummation-based quantum Monte Carlo (QMC) — implemented recently for sign-problem-free SU(2)-symmetric spin Hamiltonians in the stochastic series expansion (SSE) framework — does not reduce the sign problem for frustrated SU(2)-symmetric \(S=\frac{1}{2}\) Heisenberg antiferromagnets on canonical geometrically frustrated lattices composed of triangular motifs such as the triangular lattice. In the process, we demonstrate that resummation-based updates do provide an ergodic sampling of the SSE-based QMC configurations which can be an issue when using the standard SSE updates, however, severely limited by the sign problem as previously mentioned. The notions laid out in these notes may be useful in the design of better algorithms for geometrically frustrated magnets.

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References

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Acknowledgements

The first author, ND was supported by a National Postdoctoral Fellowship from SERB-DST, Government of India (PDF/2020/001658) hosted at the Department of Theoretical Physics of the Tata Institute of Fundamental Research. The second author, SP acknowledges financial support from SERB-DST, Government of India via Grant No. SRG/2019/001419, and in the final stages of writing by Grant No. CRG/2021/003024. The numerical results were obtained using the computational facilities (Chandra cluster) of the Department of Physics, IIT Bombay.

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Correspondence to Sumiran Pujari.

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Desai, N., Pujari, S. Resummation-based quantum Monte Carlo vis-à-vis sign-problematic \(S=\frac{1}{2}\) Heisenberg models on canonical geometrically frustrated lattices. Pramana - J Phys 97, 117 (2023). https://doi.org/10.1007/s12043-023-02586-1

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  • DOI: https://doi.org/10.1007/s12043-023-02586-1

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