Density functional theory (DFT) is a quantum mechanical model used to estimate the electronic structure of molecules and condensed matter. In broad terms, DFT works by treating all the electrons in the system as a single electron density, and computing physical quantities of interest as functionals of that electron density.
4 years ago
Recent Hot AnswersCoulomb potential energy functional derivative
How does a unique electron probability distribution correspond to one wavefunction?
Understanding electronic band structure diagrams
Antisymmetric functions as Slater determinants
Implementing simple atom model using density functional theory (DFT)
condensed-matter × 7
research-level × 5
atomic-physics × 3
many-body × 3
software × 2
electrons × 2
wavefunction × 2more related tags