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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
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 approximation to many-body systems is developed. The approximation has the same computational complexity as the traditional 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 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 and FLEX approximations, which have a similar complexity. More importantly, this method indicates a Mott-Hubbard gap as the Hubbard increases, whereas the 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 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,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。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 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
中文翻译:
电子系统中的改良GW方法
一个修改 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,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。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 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。