Density Functional Theory

**Definition:** A theory that is used to describe the electronic ground state properties of matter. It forms the basis of methods in obtaining a solution to the Schrodinger equation for a many-body system, and to investigate the structural, magnetic, and electronic properties of molecules and materials.

**Tree numbers:** - H01.671.579.800.500

**Synonyms:** - Kohn-Sham Density Functional Theory - KS-DFT