MatSci-SAMhttps://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/2Density functional theory (DFT) is a computational method that utilizes electron charge densities to approximate the ground-state electronic structure and properties of materials, bypassing the explicit solution of the many-body Schrödinger equation.
Loading examples…
This is the first recorded text for this definition.
Suggest a revision to this candidate, or propose a separate replacement for people to compare and vote on.
Every published revision keeps its text, editor, change note, and community vote tally. Examples have their own contribution history above.
Discuss this definition with the community. A comment records what you write without changing the definition.
It would be helpful if this definition mentioned charge densities and gave some high-level insight into how solutions to the Schrödinger equation are approximated.
Examples support the definition while retaining their own contributor credit. One may be featured in summaries.
DFT was used to predict the magnetic properties of nickel, based on the arrangement and behavior of its electron density.
Origin and contribution date not recorded