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
Abstract
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 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 models, the periodic Anderson model, the Kondo and Coqblin-Schrieffer models, and their variants.
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.
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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.