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 …

We propose an energy functional for localized electron systems that corresponds to the
constrained-local-density approximation (LDA) but includes some corrections for spin and …

Materials where electrons show nearly localized rather than itinerant behaviour, such as the
high-temperature superconducting copper oxides, or manganate oxides, are attracting …

We present ab initio calculations for the Coulomb U parameter of all transition-metal
impurities in Rb. The U parameter increases in each row by filling up the d shell and …

The electronic structures and magnetic properties in zinc-blende structure ZnS doped with
nonmagnetic noble metal palladium have been investigated by means of density functional …

The generalization of the Local Density Approximation (LDA) method for the systems with
strong Coulomb correlations is presented which gives a correct description of the Mott …

An approximate ground state of the Anderson-Friedel impurity problem is presented in a
very compact form. It requires solely the optimization of two localized electron states and …

It is shown that the calculation of the magnetic moment of a Friedel-Anderson impurity in
mean-field theory is unreliable. A class of approximate solutions, which contains the mean …

Publisher Summary This chapter discusses the stripes and resonance peaks of single-and
multi-layered cuprates and related nickelates. Superconductors with surprisingly high …

Usually, the occurrence of magnetism on isolated, substitutional 3d, 4d and 5d impurity ions
in metals is restricted to certain 3d ions (mainly Cr, Mn, Fe, Co, Ni) in alloying metallic …