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arXiv · 2303.13403

Boosting quantum Monte Carlo and alleviating sign problem by Gutzwiller projection

Wei-Xuan Chang·Zi-Xiang Li
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Abstract

Here we develop a new scheme of projective quantum Monte-Carlo (QMC) simulation combining unbiased zero-temperature (projective) determinant QMC and variational Monte-Carlo based on Gutzwiller projection wave function, dubbed as ``Gutzwiller projection QMC''. The numerical results demonstrate that employment of Gutzwiller projection trial wave function with minimum energy strongly speed up the convergence of computational results, thus tremendously reducing computational time in the simulation. More remarkably, we present an example that sign problem is enormously alleviated in the Gutzwiller projection QMC, especially in the regime where sign problem is severe. Hence, we believe that Gutzwiller projection QMC paves a new route to improving the efficiency, and alleviating sign problem in QMC simulation on interacting fermionic systems.

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Wei-Xuan Chang, Zi-Xiang Li. 2023-03-23. Boosting quantum Monte Carlo and alleviating sign problem by Gutzwiller projection. https://doi.org/10.1103/physrevb.110.085152

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