Capturing nonlocal interaction effects in the Hubbard model: Optimal mappings and limits of applicability
Capturing nonlocal interaction effects in the Hubbard model: Optimal mappings and limits of applicability
复制标题
捕捉哈伯德模型中的非局部相互作用效应：最佳映射和适用性限制
DOI：
10.1103/physrevb.94.165141
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发表时间：
2016
影响因子：
3.7
通讯作者：
T. Wehling
中科院分区：
文献类型：
--
作者：
E. V. Loon;M. Schuler;M. Katsnelson;T. Wehling
我们研究了Peierls-Feynman-Bogoliubov变分原理，将具有非局部相互作用的Hubbard模型映射到仅具有局部相互作用的有效模型。我们研究了由最近邻相互作用引起的局部相互作用的重整化，并评估了有效的Hubbard模型在再现相应的扩展Hubbard模型的观测量方面的质量。我们比较重整化的局部相互作用，从数值上精确的行列式量子蒙特卡罗近似，但更普遍适用的计算使用双玻色子，动力学平均场理论，和随机相位近似。这些更近似的方法对于任何考虑真实的材料的应用都是至关重要的。此外，我们使用的双玻色子方法来计算的扩展哈伯德模型的观测值直接和基准这些对有效哈伯德模型的决定性量子蒙特卡罗模拟。
We investigate the Peierls-Feynman-Bogoliubov variational principle to map Hubbard models with nonlocal interactions to effective models with only local interactions. We study the renormalization of the local interaction induced by nearest-neighbor interaction and assess the quality of the effective Hubbard models in reproducing observables of the corresponding extended Hubbard models. We compare the renormalization of the local interactions as obtained from numerically exact determinant quantum Monte Carlo to approximate but more generally applicable calculations using dual boson, dynamical mean field theory, and the random phase approximation. These more approximate approaches are crucial for any application with real materials in mind. Furthermore, we use the dual boson method to calculate observables of the extended Hubbard models directly and benchmark these against determinant quantum Monte Carlo simulations of the effective Hubbard model.