Strong electronic correlations are often associated with the proximity of a Mott-insulating
state. In recent years however, it has become increasingly clear that the Hund's rule …

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 …

In this work, we address the question of calculating the local effective Coulomb interaction
matrix in materials with strong electronic Coulomb interactions from first-principles. To this …

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 …

We present an approach that combines the local-density approximation (LDA) and the
dynamical mean-field theory (DMFT) in the framework of the full-potential linear augmented …

Effective low-energy Hamiltonians for several different families of iron-based
superconductors are compared after deriving them from the downfolding scheme based on …

We present a detailed study of the valence and conduction bands of VO 2 across the metal-
insulator transition using bulk-sensitive photoelectron and OK x-ray absorption …

Ab initio analyses of A 2 IrO 4 (A= Sr, Ba) are presented. Effective Hubbard-type models for Ir
5 dt 2 g manifolds downfolded from the global band structure are solved based on the …

We propose a computational scheme for the ab initio calculation of Wannier functions (WFs)
for correlated electronic materials. The full-orbital Hamiltonian H ̂ is projected into the WF …

The description of realistic strongly correlated systems has recently advanced through the
combination of density functional theory in the local density approximation (LDA) and …