论文标题

势能在动力学顶点近似中的一致性

Consistency of potential energy in the dynamical vertex approximation

论文作者

Stobbe, Julian, Rohringer, Georg

论文摘要

在过去的几十年中,动态平均场理论(DMFT)及其图解扩展已成功地用于描述相关电子系统中的局部和非局部相关效应。不幸的是,除了确切的解决方案外,不可能同时遵守保利原则和保护法。因此,基本可观察物(例如动力学和势能)被模棱两可。在这项工作中,我们提出了一种方法,以克服梯子动力学顶点近似(D $γ$ a)内势能计算的歧义,通过在系统的电荷和旋转易感性中引入有效的质量重归化参数。然后,我们将我们的方法应用于三维双方立方晶格上半填充的单频哈伯德模型。我们发现:(i)在弱到中间的耦合下,相对于先前的梯子D $γ$ A计算,对反铁磁有序状态的过渡温度$ \ tn $的合理修改而无需重新划算。这与双重效率和蒙特卡洛的结果非常吻合; (ii)在我们的新方法中,电荷波动的重新归一化导致势能的独特价值,该价值大大低于DMFT和非固定固定阶梯d $γ$ a的相应值; (iii)弱耦合方案中DMFT和梯子d $γ$ a之间动能的层次结构可以通过考虑电荷重量化的考虑来恢复。

In the last decades, dynamical mean-field theory (DMFT) and its diagrammatic extensions have been successfully applied to describe local and nonlocal correlation effects in correlated electron systems. Unfortunately, except for the exact solution, it is impossible to fulfill both the Pauli principle and conservation laws at the same time. Consequently, fundamental observables such as the kinetic and potential energies are ambiguously defined. In this work, we propose an approach to overcome the ambiguity in the calculation of the potential energy within the ladder dynamical vertex approximation (D$Γ$A) by introducing an effective mass renormalization parameter in both the charge and the spin susceptibility of the system. We then apply our method to the half-filled single-band Hubbard model on a three-dimensional bipartite cubic lattice. We find that: (i) at weak-to-intermediate coupling, a reasonable modification of the transition temperature $\TN$ to the antiferromagnetically ordered state with respect to previous ladder D$Γ$A calculations without charge renormalization. This is in good agreement with dual fermion and Monte Carlo results; (ii) the renormalization of charge fluctuations in our new approach leads to a unique value for the potential energy which is substantially lower than corresponding ones from DMFT and non-self-consistent ladder D$Γ$A; and (iii) the hierarchy of the kinetic energies between the DMFT and the ladder D$Γ$A in the weak coupling regime is restored by the consideration of charge renormalization.

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