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arXiv:1902.04796 · Annales Henri Poincaré

Sparsity Pattern of the Self-energy for Classical and Quantum Impurity Problems

Lin Lin, Michael Lindsey

Published Jun 11, 2020• 1 citation
arXivHTMLPDF
DOI
10.1007/s00023-020-00917-1

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We present an impurity solver based on adaptively truncated Hilbert spaces. The solver is particularly suitable for dynamical mean-field theory in circumstances where quantum Monte Carlo approaches are ineffective. It exploits the sparsity structure of quantum impurity models, in which the interactions couple only a small subset of the degrees of freedom. We further introduce an adaptive truncation of the particle or hole excited spaces, which enables computations of Green functions with an accuracy needed to avoid unphysical (sign change of imaginary part) self-energies. The method is benchmarked on the one-dimensional Hubbard model.
We study interference patterns and Friedel oscillations (FO) due to scattering from two or more localized impurities and scattering from extended inhomogeneities in the two-dimensional lattice systems of interacting fermions. Correlations between particles are accounted for by using an approximate method based on the real-space dynamical mean-field theory and a homogeneous self-energy approximation (HSEA), where the site-dependent part of the self-energy is neglected. We find that the interference maxima and minima change systematically as we vary the relative distance between the two impurities. At the same time, the increase of the interaction does not shift the position of interference fringes but only reduces their intensities. A comparison with the single impurity cases clearly shows complex patterns in FO fringes induced by additional multiple scattering processes. In the case of an extended steplike potential the system becomes more homogeneous when the interaction increases. FO and interference patterns are not present in the Mott insulating phase in both single and many impurity models.
An approximate solution of a Dyson equation satisfied by a single particle Green's function in many-impurity problems in solids is obtained for an extended impurity perturbation potential. We assume that there is no overlapping of any two impurity potentials and that the range of the impurity potential is arbitrary. The coordinate representation of the Dyson equation is solved by transforming an iterative solution of the equation into a form with no repetitive summation indices appearing in any term of given order. By neglecting fluctuations of the impurity distribution, a set of equations are derived to determine the Green's function and the self-energy in a self-consistent manner. A group-theoretic consideration of the self-energy and some sum rules are given.