Quantum embedding description of the Anderson lattice model with the ghost Gutzwiller approximation
Quantum embedding description of the Anderson lattice model with the ghost Gutzwiller approximation
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DOI：
10.1103/physrevb.104.l081103
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发表时间：
2021-08-05
影响因子：
3.7
通讯作者：
Lanata, Nicola
中科院分区：
文献类型：
--
作者：
Frank, Marius S.;Lee, Tsung-Han;Lanata, Nicola
我们目前的基准计算的安德森晶格模型的基础上最近开发的"鬼Gutzwiller近似"。我们的分析表明，在某些参数制度，标准Gutzwiller近似的预测可能是不正确的数量级为这个模型。我们表明，这是由于这种方法无法同时描述莫特物理和相关和巡回自由度之间的杂交，其相互作用往往支配在真实的材料的金属-绝缘体过渡。最后，我们表明幽灵古茨维勒近似解决了这个问题，为我们提供了在整个相图中与动态平均场理论显着一致的结果，同时计算要求低得多。我们提供了一个分析解释这些发现，并讨论其影响的背景下，从头计算强相关的问题。
We present benchmark calculations of the Anderson lattice model based on the recently developed "ghost Gutzwiller approximation". Our analysis shows that, in some parameters regimes, the predictions of the standard Gutzwiller approximation can be incorrect by orders of magnitude for this model. We show that this is caused by the inability of this method to describe simultaneously the Mott physics and the hybridization between correlated and itinerant degrees of freedom-whose interplay often governs the metal-insulator transition in real materials. Finally, we show that the ghost Gutzwiller approximation solves this problem, providing us with results in remarkable agreement with dynamical mean-field theory throughout the entire phase diagram, while being much less computationally demanding. We provide an analytical explanation of these findings and discuss their implications within the context of ab-initio computation of strongly correlated matter.