Density Functional Theory (also known as Density Functional Theories, Kohn-Sham Density Functional Theory): 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

NIH MeSH · D000077318Disciplines and Occupations

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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Common questions about Density Functional Theory

What does Density Functional Theory mean in medicine?
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. This definition is taken from the National Library of Medicine's MeSH (Medical Subject Headings) 2026 release, which is the standard vocabulary used to index PubMed and most medical literature.
Is Density Functional Theory known by any other names?
Yes. Density Functional Theory is also referred to as Density Functional Theories, Kohn-Sham Density Functional Theory, Kohn Sham Density Functional Theory, KS-DFT in different clinical, research and patient-facing contexts. The MeSH descriptor groups all of these synonyms under a single canonical concept so research and records stay consistent.
Where does Density Functional Theory sit in the medical classification?
Density Functional Theory falls under the broader medical category "Disciplines and Occupations" in the MeSH hierarchy (tree numbers: H01.671.579.800.500). Browsing the related concepts on this page takes you to neighbouring topics in the same branch of medicine.
Where can I get a plain-language explanation of Density Functional Theory?
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Source: NIH MeSH 2026 (D000077318) — National Library of Medicine, public domain. View official MeSH record ↗