单杂质Anderson模型的累积格林函数法

IF 7.2 2区 物理与天体物理 Q1 COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS
T.M. Sobreira , T.O. Puel , M.A. Manya , S.E. Ulloa , G.B. Martins , J. Silva-Valencia , R.N. Lira , M.S. Figueira
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引用次数: 0

摘要

利用累积格林函数法(CGFM)研究了单杂质安德森模型(SIAM)。CGFM的出发点是SIAM哈密顿量的对角化,表示为含有N个位点的半链形式,即一个相关位点(模拟杂质)连接到剩余的N−1不相关的导电电子位点。由于整个系统的点很少,所以可以得到精确解。该解用于计算原子格林函数和近似累积量,用于获得SIAM的杂质和传导格林函数,不需要自洽环。我们计算了态密度、Friedel和规则和杂质占用数,所有这些都以数值重整化组(NRG)的结果为基准。获得的主要见解之一是,在非常低的温度下,只有四种原子跃迁有助于产生整个SIAM状态密度,而不管链中的位置数量和模型参数以及不同的制度:空轨道,混合价态和近藤。我们还指出了CGFM作为描述强相关电子系统(如Hubbard和t - J模型、周期性Anderson模型、Kondo和coqlin - schrieffer模型及其变体)的有效替代方案的可能性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
The cumulant Green's functions method for the single impurity Anderson model
Using the cumulant Green's functions method (CGFM), we study the single impurity Anderson model (SIAM). The CGFM starting point is the diagonalization of the SIAM Hamiltonian expressed in a semi-chain form containing N sites, viz., a correlated site (simulating an impurity) connected to the remaining N1 uncorrelated conduction-electron sites. An exact solution can be obtained since the complete system has few sites. That solution is employed to calculate the atomic Green's functions and the approximate cumulants used to obtain the impurity and conduction Green's functions for the SIAM, and no self-consistency loop is required.
We calculated the density of states, the Friedel sum rule, and the impurity occupation number, all benchmarked against results from the numerical renormalization group (NRG). One of the main insights obtained is that, at very low temperatures, only four atomic transitions contribute to generate the entire SIAM density of states, regardless of the number of sites in the chain and the model's parameters and different regimes: Empty orbital, mixed-valence, and Kondo. We also pointed out the possibilities of the CGFM as a valid alternative to describe strongly correlated electron systems like the Hubbard and tJ models, the periodic Anderson model, the Kondo and Coqblin-Schrieffer models, and their variants.
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来源期刊
Computer Physics Communications
Computer Physics Communications 物理-计算机:跨学科应用
CiteScore
12.10
自引率
3.20%
发文量
287
审稿时长
5.3 months
期刊介绍: The focus of CPC is on contemporary computational methods and techniques and their implementation, the effectiveness of which will normally be evidenced by the author(s) within the context of a substantive problem in physics. Within this setting CPC publishes two types of paper. Computer Programs in Physics (CPiP) These papers describe significant computer programs to be archived in the CPC Program Library which is held in the Mendeley Data repository. The submitted software must be covered by an approved open source licence. Papers and associated computer programs that address a problem of contemporary interest in physics that cannot be solved by current software are particularly encouraged. Computational Physics Papers (CP) These are research papers in, but are not limited to, the following themes across computational physics and related disciplines. mathematical and numerical methods and algorithms; computational models including those associated with the design, control and analysis of experiments; and algebraic computation. Each will normally include software implementation and performance details. The software implementation should, ideally, be available via GitHub, Zenodo or an institutional repository.In addition, research papers on the impact of advanced computer architecture and special purpose computers on computing in the physical sciences and software topics related to, and of importance in, the physical sciences may be considered.
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