 Density functional theory

Density Functional Theory (DFT) is a quantum mechanical modeling method used to investigate the electronic structure of many-body systems, particularly atoms, molecules, and the condensed phases of matter. Instead of focusing on the wave functions of electrons, DFT simplifies the problem by using the electron density as the primary variable. ### Key Concepts: 1. **Electron Density**: In DFT, the properties of a system are derived from the electron density, which is a function of position in space.