论文标题

动态屏蔽的顶点校正到$ GW $

Dynamically screened vertex correction to $GW$

论文作者

Pavlyukh, Y., Stefanucci, G., van Leeuwen, R.

论文摘要

图解摄动理论是研究相互作用多体系统的强大工具,即自能量操作员$σ$编码各种散射过程。在最简单的相关电子的情况下,电子能源$ GW $近似所描述的相关电子,粒子将其能量的一部分转移到中性激发。高阶(在筛选的库仑相互作用$ W $中)自我能量图可以通过考虑更复杂的散射通道并添加校正以较低阶的自我能量项来改善电子光谱功能(SF)。但是,它们也可能导致非物理负光谱函数。我们以前的作品已经证明了这种难度的解决。主要思想是以Fermi Golden规则形式代表自动能源运算符,该形式导致明显的确定SF,并允许具有非常有效的数值算法。到目前为止,该方法仅应用于3D电子气体,这是一种范式系统,但相当简单。在这里,我们系统地将方法扩展到了2D,包括诸如单声道和双层石墨烯之类的现实系统。我们专注于最重要的顶点函数效应之一,涉及最终状态下两个粒子的交换。我们证明应通过适当的筛选对其进行评估,并讨论其对准粒子特性的影响。

Diagrammatic perturbation theory is a powerful tool for the investigation of interacting many-body systems, the self-energy operator $Σ$ encoding all the variety of scattering processes. In the simplest scenario of correlated electrons described by the $GW$ approximation for the electron self-energy, a particle transfers a part of its energy to neutral excitations. Higher-order (in screened Coulomb interaction $W$) self-energy diagrams lead to improved electron spectral functions (SF) by taking more complicated scattering channels into account and by adding corrections to lower order self-energy terms. However, they also may lead to unphysical negative spectral function. The resolution of this difficulty has been demonstrated in our previous works. The main idea is to represent the self-energy operator in a Fermi Golden rule form which leads to the manifestly positive definite SF and allows for a very efficient numerical algorithm. So far, the method has only been applied to 3D electron gas, which is a paradigmatic system, but a rather simple one. Here, we systematically extend the method to 2D including realistic systems such as mono and bilayer graphene. We focus on one of the most important vertex function effects involving the exchange of two particles in the final state. We demonstrate that it should be evaluated with the proper screening and discuss its influence on the quasiparticle properties.

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