van Loon Erik G C P
Institute for Theoretical Physics and Bremen Center For Computational Materials Science, University of Bremen, Bremen, Germany.
J Phys Condens Matter. 2021 Jan 25;33(13). doi: 10.1088/1361-648X/abd9ed.
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. In addition, the approach is benchmarked in several exactly solvable small systems.
在动态平均场理论中，假设电子之间的关联是纯局域的。双费米子方法提供了一种从动态平均场理论起点开始添加非局域修正的系统方法。该方法最初的应用主要局限于单轨道哈伯德模型。在此，我们展示了针对一般多轨道系统的二阶双费米子的实现，并使用这种方法来研究SrVO中的空间关联。此外，该方法在几个可精确求解的小系统中进行了基准测试。
