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Hartree-Fock-Bogoliubov流形中的无相辅助场量子蒙特卡罗方法

Phaseless auxiliary-field quantum Monte Carlo in the Hartree-Fock-Bogoliubov manifold

Zhaozhan Zhang

arXiv 2607.21929首次发表:更新:

AI 中文总结

针对强配对关联系统,在HFB流形中实现无相AFQMC方法,引入灵活表示及显式归一化因子,扩展随机规范形式,通过Richardson模型基准计算证明了方法的准确性与数值稳定性。

AI 中文摘要

我们针对具有强配对关联的系统,在Hartree-Fock-Bogoliubov(HFB)流形中制定并实现了无相辅助场量子蒙特卡罗(AFQMC)方法。我们的公式引入了HFB游走者更灵活的表示,从相对于参考真空的表示矩阵导出归一化因子的显式解析表达式。我们还将先前开发的随机规范形式从斯莱特行列式流形扩展到HFB框架,为控制随机涨落提供了额外的灵活性。Richardson模型的基准计算证明了该方法的准确性和数值稳定性。

英文摘要

We formulate and implement the phaseless auxiliary-field quantum Monte Carlo (AFQMC) method in the Hartree-Fock-Bogoliubov (HFB) manifold for systems with strong pairing correlations. Our formulation introduces a more flexible representation of HFB walkers with an explicit analytical expression for the normalization factor derived from the representation matrix with respect to the reference vacuum. We also extend our previously developed stochastic gauge formalism from the Slater determinant manifold to the HFB framework, providing additional flexibility for controlling stochastic fluctuations. Benchmark calculations for the Richardson model demonstrate the accuracy and numerical stability of the method.

Comments12 pages, 3 figures

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