Since the first investigation of the Hubbard model in the limit of infinite dimensions by Metzner and Vollhardt, dynamical mean-field theory (DMFT) has become a very powerful tool for the investigation of lattice models of correlated electrons. In DMFT the lattice model is mapped on an effective...
We present an embedding approach based on localized basis functions which permits an efficient application of the dynamical mean-field theory (DMFT) to inhomogeneous correlated materials, such as semi-infinite surfaces and heterostructures. In this scheme, the semi-infinite substrate leads connected to ...
To analyze the physical properties arising from indirect magnetic exchange between several magnetic adatoms and between complex magnetic nanostructures on metallic surfaces, the real-space extension of dynamical mean-field theory (R-DMFT) appears attractive as it can be applied to systems of almost ...
In previous work we undertook systematic local density approxima- tion plus dynamical-mean-field-theory (LDA+DMFT)43 studies of iron-based superconductors, showing how bad-metallicity40 and doping-induced localization-delocalization transition can be understood within a single theoretical picture. ...
Dynamical Mean Field Theory (DMFT) is a successful method to compute the electronic structure of strongly correlated materials, especially when it is combined with density functional theory (DFT). Here, we present an open-source computational package (and a library) combining DMFT with various DFT...
Within the dynamical mean field theory (DMFT) the Hubbard model is mapped on a single impurity Anderson model (SIAM), for which the hybridization function has to be determined selfconsistently. But in DMFT treatments of the periodic Anderson model (PAM) unphysical results may be obtained when ...
dmftcorrelatedelectronsdynamicalkotliarmean The Mott Transition and the Challenge of Strongly Correlated Electron Systems. G. Kotliar Physics Department and Center for Materials Theory Rutgers PIPT Showcase Conference UBC Vancouver May 12th 2005 The Standard Model of Solid State Physics. • Itinerant limi...
The unphysical solutions of the periodic Anderson model obtained by Keiter and Leuders (KeiterH and LeudersT 2000 801) in dynamical mean-field theory (DMFT) are shown to result from the authors' restricted choice of the functional form of the solution, leading to a violation of the analytic...
We present an algorithm for solving the self-consistency equations of the dynamical mean-field theory (DMFT) with high precision and efficiency at low temperatures. In each DMFT iteration, the impurity problem is mapped to an auxiliary Hamiltonian, for which the Green function is computed by combi...
We introduce the unification of dynamicalmean field theory (DMFT)and linear-scaling density functional theory (DFT), as recently implementedin ONETEP, a linear-scaling DFT package, and TOSCAM, a DMFT toolbox.This code can account for strongly correlated electronic behaviorwhile simultaneously including...