论文标题
具有强电子相关性的材料的多波段D-Trilex方法
Multi-band D-TRILEX approach to materials with strong electronic correlations
论文作者
论文摘要
我们介绍了多波段双三重不可还原的局部扩展（D-Trilex）方法，用于交互电子系统并讨论其数值实现。该方法设计用于对多轨系统的自洽描述，这些系统也可以在单位单元格中有几个原子。当前的D-Trilex方法的实现能够解释频率和通道依赖性的长期电子相互作用。我们表明，当应用于小型多波段系统（例如Hubbard-Kanamori二聚体）时，我们的方法是准确的。还讨论了扩展哈伯德的计算，两轨哈伯 - 卡纳莫里人和双层哈伯德模型的计算。
We present the multi-band dual triply irreducible local expansion (D-TRILEX) approach to interacting electronic systems and discuss its numerical implementation. This method is designed for a self-consistent description of multi-orbital systems that can also have several atoms in the unit cell. The current implementation of the D-TRILEX approach is able to account for the frequency- and channel-dependent long-ranged electronic interactions. We show that our method is accurate when applied to small multi-band systems such as the Hubbard-Kanamori dimer. Calculations for the extended Hubbard, the two-orbital Hubbard-Kanamori, and the bilayer Hubbard models are also discussed.
