检验J1-J2海森堡自旋晶格的团簇微扰理论与团簇耦合簇的收敛性
Examining Convergence of Cluster Perturbation Theory and Cluster Coupled Cluster for J1-J2 Heisenberg Spin Lattices
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中文总结 AI 辅助
本文通过将团簇微扰理论扩展至cPT7和团簇耦合簇扩展至cCCSDTQ5，验证了团簇平均场方法在热力学极限下对J1-J2海森堡模型的能量收敛性，并讨论了高效计算方法。
中文摘要 AI 辅助
在先前的工作中，研究表明使用团簇平均场（cMF）波函数作为微扰理论和耦合簇的零阶波函数，能够在热力学极限（TDL）下对J1-J2海森堡模型产生合理的近似。然而，该工作仅限于cPT4和cCCSD。cMF的核心主张是，它能够将强关联系统转化为弱关联系统，从而使适用于弱关联系统的微扰理论（PT）方法得以应用。为证实这一主张的正确性，重要的是展示PT和CC级数收敛。在本文中，我们将先前的计算扩展到cPT7和cCCSDTQ5，并证明能量正在收敛。我们还讨论了如何在热力学极限下高效执行基于团簇的计算，这对于这些更昂贵的计算至关重要。
英文摘要
In previous work, it was shown that using the cluster mean field(cMF) wavefunction as the zeroth order wavefunction for perturbation theory and coupled cluster produces a reasonable approximation for the J 1-J 2 Heisenberg model in the thermodynamic limit(TDL). However, this work was limited to cPT4 and cCCSD. The central claim of cMF is that it takes strongly correlated systems and makes them weakly correlated so that PT weakly correlated methods can be used. To confirm that this claim is true, it is important to show that the PT and CC series converge. In this paper, we extend the previous calculations to cPT7 and cCCSDTQ5 where we show that the energy is converging. We also discuss how to perform cluster based calculations efficiently in the thermodynamic limit, which is crucial for these more expensive calculations.
发表机构
- Wesleyan University（卫斯理安大学）
机构由 AI 辅助整理，请以论文原文为准。
