Density functional theory
- Wikidata
- https://www.wikidata.org/wiki/Q1048589
- OpenAlex ID
- https://openalex.org/C152365726 (API record)
- OpenAlex Description
- computational quantum mechanical modelling method to investigate the electronic structure
- OpenAlex Level [?]
- 2
Broader Concepts
Narrower Concepts
- Activation barrier
- Basis set
- Borophene
- CASTEP
- Dynamical mean field theory
- Electronic density
- First principle
- Functional theory
- Gold cluster
- Graphane
- Graphyne
- Hybrid functional
- Isodesmic reaction
- Kohn–Sham equations
- Local-density approximation
- Mulliken population analysis
- Natural bond orbital
- Superatom
- Time-dependent density functional theory
Associated Authors
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