ﻻ يوجد ملخص باللغة العربية
We present a new open-source program, DCore, that implements dynamical mean-field theory (DMFT). DCore features a user-friendly interface based on text and HDF5 files. It allows DMFT calculations of tight-binding models to be performed on predefined lattices as well as textit{ab initio} models constructed by external density functional theory codes through the Wannier90 package. Furthermore, DCore provides interfaces to many advanced quantum impurity solvers such as quantum Monte Carlo and exact diagonalization solvers. This paper details the structure and usage of DCore and shows some applications.
We present a charge and self-energy self-consistent computational scheme for correlated systems based on the Korringa-Kohn-Rostoker (KKR) multiple scattering theory with the many-body effects described by the means of dynamical mean field theory (DMF
We implemented the derivative of the free energy functional with respect to the atom displacements, so called force, within the combination of Density Functional Theory and the Embedded Dynamical Mean Field Theory. We show that in combination with th
Starting from the (Hubbard) model of an atom, we demonstrate that the uniqueness of the mapping from the interacting to the noninteracting Greens function, $Gto G_0$, is strongly violated, by providing numerous explicit examples of different $G_0$ le
In this work we examine the time-resolved, instantaneous current response for the spinless Falicov-Kimball model at half-filling, on both sides of the Mott-Hubbard metal-insulator transition, driven by a strong electric field pump pulse. The results
We present the ALPS (Algorithms and Libraries for Physics Simulations) project, an international open source software project to develop libraries and application programs for the simulation of strongly correlated quantum lattice models such as quant