Abstract
One of the most reliable and widely used methods to calculate electronic structure of strongly correlated models is the Dynamical Mean Field Theory (DMFT) developed over two decades ago. It is a non-perturbative algorithm which, in its simplest version, takes into account strong local interactions by mapping the original lattice model on to a single impurity model. This model has to be solved using some many-body technique. Several methods have been used, the most reliable and promising of which is the Density Matrix Renormalization technique. In this paper, we present an optimized implementation of this method based on using the star geometry and correction-vector algorithms to solve the related impurity Hamiltonian and obtain dynamical properties on the real frequency axis. We show results for the half-filled and doped one-band Hubbard models on a square lattice.
 Received: 31 March 2017, Accepted: 6 June 2017; Edited by: D. Domínguez; Reviewed by: A. Feiguin, Northeastern University, Boston, United States; DOI: http://dx.doi.org/10.4279/PIP.090005
 Cite as: Y Núñez Fernández, K Hallberg, Papers in Physics 9, 090005 (2017)
 This paper, by Y Núñez Fernández, K Hallberg, is licensed under the Creative Commons Attribution License 3.0.
Highlights
Materials with strongly correlated electrons have attracted researchers in the last decades
We proposed the Density Matrix Renormalization Group (DMRG) as a reliable impurity-solver [25,26,27] which allows to surmount some of the problems existing in other solvers, giving, for example, the possibility of calculating dynamical properties directly on the real frequency axis
We have used this method to calculate the density of states (DOS) of the Hamiltonian (Eq 1) on a square lattice with unit of energy t = 0.25, for several dopings, given by the chemical potential
Summary
Materials with strongly correlated electrons have attracted researchers in the last decades. One of the most reliable and widely used methods to calculate electronic structure of strongly correlated models is the Dynamical Mean Field Theory (DMFT) developed over two decades ago. Very successful methods to calculate electronic structure of weakly correlated materials, such as the Density Functional Theory (DFT) [1], lead to wrong results when used in some of these systems.
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