Unified description of electronic structure by density matrices from theory and experiment

Electronic Structure: Density Functional Theory

Density functional theory (DFT) is a successful theory to calculate the electronic structure of atoms, molecules, and solids. Its goal is the quantitative understanding of materials properties from the fundamental laws of quantum mechanics. Traditional electronic structure methods attempt to find approximate solutions to the Schrödinger equation of N interacting electrons moving in an external,...

Density Functional Theory of Electronic Structure

Density functional theory (DFT) is a (in principle exact) theory of electronic structure, based on the electron density distribution n(r), instead of the many-electron wave function Ψ(r1,r2,r3,...). Having been widely used for over 30 years by physicists working on the electronic structure of solids, surfaces, defects, etc., it has more recently also become popular with theoretical and computat...

skopos theory and translating strategies of csis in translaed literary texts from english into persian

abstract translation has become a cultural act which plays a significant role in human life. with the emergence of functional translation theories, and skopos theory in particular, translation has been considered as a purposeful, interpersonal and intercultural activity which is produced for particular recipients and directed by a specific purpose. this purpose determines the translatio...

Electronic structure of aluminum nitride: Theory and experiment

We report the results of a vacuum ultraviolet (VIJV) study of single crystal and polycrystalline AlN over the range 4-40 eV and compare these with theoretical optical properties calculated from first principles using an orthogonalized linear combination of atomic orbit& in the local density approximation. The electronic structure of AIN has a two-dimensional (2D) character indicated by logarith...

Surface electronic structure of Cr(001): Experiment and theory