Provenance: density functional theory (dft)
The published history of this term as a W3C PROV-O graph, including definitions and revisions, AI-assisted activity, examples and featured selections, comments, and votes. Click a node for details, or download the graph as PROV-O Turtle.
Timeline
- Term "density functional theory (dft)" created
Sep 4, 2025 at 3:29 PM UTC
- Definition 1 · revision 1 writtenColton Gerber
Sep 4, 2025 at 3:29 PM UTC
Initial contribution A computational method used to simulate materials (or molecules) on an atomic scale. A charge density is guessed, then updated until it is no longer changing. The results include energy and per-atom forces and can be post-processed to calcu…
- Definition 2 · revision 1 generated by AIgemma3revision 29
Sep 4, 2025 at 3:29 PM UTC
AI-generated definition Density 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…
- Upvoted AI-authored definition 2 · revision 1A community member
Sep 4, 2025 at 3:29 PM UTC
- Comment posted on definition 2 · revision 1Cindy Zhang
Oct 20, 2025 at 8:32 PM UTC
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.
- Revision guidance submitted for definition 2 · revision 1Christopher Rauch
Sep 8, 2026 at 7:09 PM UTC
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.
- AI generated a revision suggestiongemma4:26brevision-suggestion
Sep 8, 2026 at 7:09 PM UTC
Density functional theory (DFT) is a computational modeling method that uses electron density as the fundamental variable to approximate the ground-state electronic structure of many-body systems, replacing the complex many-electron wavefun…
- Definition 3 · revision 1 published with AI assistancegemma4:26brevision 99
Sep 8, 2026 at 7:09 PM UTC
AI-assisted suggested revision Density functional theory (DFT) is a computational modeling method that uses electron density as the fundamental variable to approximate the ground-state electronic structure of many-body systems, replacing the complex many-electron wavefun…
- Upvoted AI-authored definition 2 · revision 1A community member
Sep 8, 2026 at 7:27 PM UTC