论文标题

多轨系统的二阶双效率

Second-order dual fermion for multi-orbital systems

论文作者

van Loon, Erik G. C. P.

论文摘要

在动态平均场理论中,假定电子之间的相关性纯粹是局部的。双重效率方法提供了一种系统的方法,可以将非本地校正添加到动态均值场理论起点。该方法的初始应用在很大程度上仅限于单一轨道哈伯德模型。在这里,我们提出了用于一般多轨系统的二阶双效率的实现,并使用此方法研究SRVO $ _3 $中的空间相关性。此外,该方法在几个可解决的小型系统中基准测试。

In dynamical mean-field theory, the correlations between electrons are assumed to be purely local. The dual fermion approach provides a systematic way of adding non-local corrections to the dynamical mean-field theory starting point. Initial applications of this method were largely restricted to the single-orbital Hubbard model. Here, we present an implementation of second-order dual fermion for general multi-orbital systems and use this approach to investigate spatial correlations in SrVO$_3$. In addition, the approach is benchmarked in several exactly solvable small systems.

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