About

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.

There is no tag wiki for this tag … yet!

Tag wikis help introduce newcomers to the tag. They contain an overview of the topic defined by the tag, along with guidelines on its usage.

All registered users may propose new tag wikis.

(Note that if you have less than 20000 reputation, your tag wiki will be peer reviewed before it is published.)

history | excerpt history