Metal-insulator transitions are accompanied by huge resistivity changes, even over tens of
orders of magnitude, and are widely observed in condensed-matter systems. This article …

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 …

Computational models are an essential tool for the design, characterization, and discovery
of novel materials. Computationally hard tasks in materials science stretch the limits of …

Studies of the electromagnetic response of various classes of correlated electron materials
including transition-metal oxides, organic and molecular conductors, intermetallic …

A review of new developments in theoretical and experimental electronic-structure
investigations of half-metallic ferromagnets (HMFs) is presented. Being semiconductors for …

Materials with correlated electrons exhibit some of the most intriguing phenomena in
condensed matter physics. A new theoretical framework is now allowing theorists to …

The self-consistent evaluation of Hubbard parameters using linear-response theory is
crucial for quantitatively predictive calculations based on Hubbard-corrected density …

We discuss a general approach to a realistic theory of the electronic structure in materials
containing correlated d or f electrons. The main feature of this approach is the taking into …

Accurate computational predictions of band gaps are of practical importance to the modeling
and development of semiconductor technologies, such as (opto) electronic devices and …

The purpose of this book is to provide a theoretical foundation and an understanding of
atomistic spin-dynamics (ASD), and to give examples of where the atomistic Landau-Lifshitz …