Tru Physics

Tag: Density Functional Theory

  • Density Functional Theory (DFT)

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    Introduction Density Functional Theory (DFT) is a computational quantum mechanical modelling method used to investigate the electronic structure of many-body systems, especially atoms, molecules, and the condensed phases. The Basics of DFT The fundamental premise behind DFT is the Hohenberg-Kohn theorem, which states that the ground state properties of a many-electron system are uniquely determined…