Density Functional Theory
Also known asDensity Functional Theories · Kohn-Sham Density Functional Theory · Kohn Sham Density Functional Theory · KS-DFT · DFT Calculations · DFT Calculation · Density Functional Theory Calculations · Density Functional Theory Computations · Density Functional Calculations · Calculation, Density Functional · Density Functional Calculation · Functional Calculation, Density
Definition
A theory that is used to describe the electronic ground state properties of matter. It forms the basis of methods in obtaining a solution to the Schrodinger equation for a many-body system, and to investigate the structural, magnetic, and electronic properties of molecules and materials.
MeSH classification
- H01.671.579.800.500
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Ask GoDavaii AI about Density Functional TheorySource: NIH MeSH 2026 (D000077318) — National Library of Medicine, public domain. View official MeSH record ↗