We report implementation of the electron localization function (ELF) within exact muffin-tin orbitals (EMTO) formalism. The ELF is often used to study nature electronic bonding in different types materials, and it also an important ingredient meta-generalized gradient approximations, which are one classes exchange-correlation functionals. correctness verified with test calculations comparison p...

We have investigated the dipole chargeand spin-density response of few-electron two-dimensional concentric nanorings as a function of the intensity of a perpendicularly applied magnetic field. We show that the dipole response displays signatures associated with the localization of electron states in the inner and outer ring favored by the perpendicularly applied magnetic field. Electron localiz...

The role of Quantum Theory in Chemistry has almost one hundred years, and the advances have been important. Nowadays, it is possible to do quantitative predictions with chemical accuracy for middle size molecules and some type of calculations, especially density functional based methodologies, are routinely done in many chemical labs. The other very important aspect on the influence of quantum ...

The electron localization function (ELF) is implemented in the first-principles, all-electron, full-potential local orbital method. This full-potential implementation increases the accuracy with which the ELF can be computed for crystalline materials. Some representative results obtained are presented and compared with the results of other methods. Although for crystal structures with directed ...