DENSITY PURPOSEFUL THEORY (DFT)

Abstract

A procedure quantum mechanical modeling technique employed in physics, chemistry and materials science to analyze the electronic structure (or nuclear structure) (principally the bottom state) of many-body systems, especially atoms, molecules, and also the condensed phases. Exploitation this theory, the properties of a many-electron system is determined by exploitation purposeful i.e. performs of another function, that during this case is that the spatially dependent negatron density. Therefore the name density purposeful theory comes from the employment of purposeful of the negatron density. DFT is among the foremost in style and versatile ways on the market in condensed-matter physics, procedure physics, and procedure chemistry.