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ModifiedGWmethod in electronic systems
Physical Review B ( IF 3.2 ) Pub Date : 2021-09-24 , DOI: 10.1103/physrevb.104.125137
Zhipeng Sun , Zhenhao Fan , Hui Li , Dingping Li , Baruch Rosenstein

A modified GW approximation to many-body systems is developed. The approximation has the same computational complexity as the traditional GW approach, but uses a different truncation scheme. This scheme neglects the high-order connected correlation functions. A covariant (preserving the Ward identities due to the charge conservation) scheme for the two-body correlators is employed, which holds the relation between the charge correlator and the charge susceptibility. The method is tested on the two-dimensional one-band Hubbard model. The results are compared with exact diagonalization, the GW approximation, the fluctuation-exchange (FLEX) theory, and determinantal Monte Carlo approach. The comparison for the (one-body) Green's function demonstrates that it is more precise in the strong-coupling regime (especially away from half filling) than the GW and FLEX approximations, which have a similar complexity. More importantly, this method indicates a Mott-Hubbard gap as the Hubbard U increases, whereas the GW and FLEX methods fail. In addition, the charge correlator obtained from the covariant scheme not only holds the consistency of the static charge susceptibility, but also makes a significant improvement over the random phase approximation calculations.

中文翻译:

电子系统中的改良GW方法

一个修改 G开发了多体系统的近似。近似具有与传统的相同的计算复杂度G方法,但使用不同的截断方案。该方案忽略了高阶连通相关函数。对二体相关器采用协变(由于电荷守恒而保留 Ward 恒等式)方案,该方案保持电荷相关器与电荷磁化率之间的关系。该方法在二维一波段哈伯德模型上进行了测试。结果与精确对角化进行比较,G近似、波动交换 (FLEX) 理论和行列式蒙特卡罗方法。(一体)格林函数的比较表明,它在强耦合状态下(尤其是远离半填充)比在强耦合状态下更精确。G和 FLEX 近似,它们具有相似的复杂性。更重要的是,这种方法表明 Mott-Hubbard 间隙为 Hubbard 增加,而 G和 FLEX 方法失败。此外,从协变方案得到的电荷相关器不仅保持了静电荷磁化率的一致性,而且对随机相位近似计算也有显着改进。
更新日期:2021-09-24
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