Density Functional Theory
What you need to know first 7 concepts, 4 layers
The requisite-knowledge inventory for this page, bottom-up: the primitives at the base, combined upward until you reach what this page assumes. Skim the layers you already own; start wherever the ground gets unfamiliar.
- base
- Linear algebraconcept
- Quantum mechanics (states & operators)
- L1
- L2
- L3
- ↳you are here
1 of these are concepts without a dedicated page yet — the grey chips. Following the linked ones first makes the rest land.
Density Functional Theory (DFT) is a computational quantum mechanical method used to investigate the electronic structure of many-body systems, particularly atoms, molecules, and condensed phases.