“Know how to solve every problem that has been solved.” “What I cannot create, I do not understand.” — Richard Feynman

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.

  1. base
  2. L1
  3. L2
  4. L3
  5. 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.