Bevorzugte Bezeichnung
density functional theory
Definition
- A computational quantum mechanical modeling method used to investigate the electronic structure of atoms, molecules and solids, approximating their energy by using electron density as the key variable rather than wavefunctions.
Oberbegriff
Synonyme
- DFT
Gehört zur Gruppe
Bezeichner
- 0000215
Änderungshinweis
- 0000-0002-6242-2167 Nikolaos G. Moustakas created the resource
URI
https://w3id.org/nfdi4cat/voc4cat_0000215