A generalization of the local density approximation (LDA) method for systems with strong
Coulomb correlations is described which gives a correct description of the Mott insulators …

A generalization of the Local Density Approximation (LDA) method for systems with strong
Coulomb correlation is described which gives a correct description of the Mott insulators …

A recently developed dynamical mean-field theory, in the iterated perturbation theory
approximation, was used as a basis for the construction of afirst-principles' calculation …

Conventional band structure calculations in the local density approximation (LDA)[1–3] are
highly successful for many materials, but miss important aspects of the physics and …

Narrow band materials (transition metals and rare‐earth elements compounds) often reveal
anomalous physical properties. Their electronic structure is strongly renormalized by …

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 unoccupied-states potential correction (USPC) in the local spin-density-functional
(LSDF) formalism is proposed as a way to take correlation effects into account …

A hybrid scheme for the electronic structure calculations of strongly correlated electron
systems is proposed. The ab initio local density approximation calculation is used to …

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 …

In order to investigate the effect of the spin-orbit interaction on strong magnetism, the authors
have developed a method of electronic structure calculation which includes the spin-orbit …