State-of-the-art techniques for calculating spectral functions in models for correlated materials
Centro Atómico Bariloche and Instituto Balseiro, CNEA and CONICET - 8400 Bariloche, Argentina
Received: 10 July 2015
Accepted: 21 September 2015
The dynamical mean-field theory (DMFT) has become a standard technique for the study of strongly correlated models and materials overcoming some of the limitations of density functional approaches based on local approximations. An important step in this method involves the calculation of response functions of a multiorbital impurity problem which is related to the original model. Recently there has been considerable progress in the development of techniques based on the density matrix renormalization group (DMRG) and related matrix product states (MPS) implying a substantial improvement to previous methods. In this paper we review some of the standard algorithms and compare them to the newly developed techniques, showing examples for the particular case of the half-filled two-band Hubbard model.
PACS: 71.15.-m – Methods of electronic structure calculations / 71.27.+a – Strongly correlated electron systems; heavy fermions / 75.40.Mg – Numerical simulation studies
© EPLA, 2015