A review of the basic ideas and techniques of the spectral density-functional theory is
presented. This method is currently used for electronic structure calculations of strongly …

Actinide elements produce a plethora of interesting physical behaviors due to the 5 f states.
This review compiles and analyzes progress in the understanding of the electronic and …

In this work we reexamine the LDA+ U method of Anisimov and co-workers in the framework
of a plane-wave pseudopotential approach. A simplified rotational-invariant formulation is …

The calculation of the electronic properties of materials is an important task of solid-state
theory, albeit particularly difficult if electronic correlations are strong, eg, in transition metals …

Modeling multiple-valence compounds using density-functional theory has long been
considered a formidable task due to the role that strong electronic correlations play in these …

We characterize the equation of state (EoS) of the SU (N> 2) Fermi-Hubbard Model (FHM) in
a two-dimensional single-layer square optical lattice. We probe the density and the site …

Electronic-correlated systems are often well described by dynamical mean field theory
(DMFT). While DMFT studies have mainly focused hitherto on one-particle properties …

We constructed computer-based simulations of the lattice dynamical properties of plutonium
using an electronic structure method, which incorporates correlation effects among the f …

In this paper, we present a study of the β phase of cerium. We show that this is a correlated
phase like γ cerium. Their structural parameters and the antiferromagnetic ground state of β …

The metal–insulator transition in correlated electron systems, where electron states
transform from itinerant to localized, has been one of the central themes of condensed …