Disciplines and Occupations

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 structural, magnetic, and electronic properties of molecules and materials.

National Library of MedicineMedical Subject Headings2026

Structured Summary

Abstract

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.

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Synonyms

32 entry terms
  • KS-DFT
  • Kohn-Sham Density Functional Theory
  • Density Functional Theories
  • Kohn Sham Density Functional Theory
  • DFT Calculations
  • Density Functional Calculations
  • Density Functional Computations
  • Density Functional Theory Calculations
  • Density Functional Theory Computations
  • Td-DFT
  • Td-DFT Calculations
  • Td-DFT Computations
  • Time-Dependent Density Functional Theory
  • Time-Dependent Density Functional Theory Calculations
  • Time-Dependent Density Functional Theory Computations
  • Calculation, Density Functional
  • Calculation, Td-DFT
  • Computation, Density Functional
  • Computation, Td-DFT
  • DFT Calculation
  • Density Functional Calculation
  • Density Functional Computation
  • Functional Calculation, Density
  • Functional Calculations, Density
  • Functional Computation, Density
  • Td DFT Calculations
  • Td DFT Computations
  • Td-DFT Calculation
  • Td-DFT Computation
  • Time Dependent Density Functional Theory
  • Time Dependent Density Functional Theory Calculations
  • Time Dependent Density Functional Theory Computations

MeSH Record

Aspects Covered

1 allowable subheadings

Indexed with the subheadings history.

MeSH Record

History Note

2019

MeSH Record

Previous Indexing

  • Quantum Theory (2002-2018)

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AMA Style

References

  1. National Library of Medicine. Density Functional Theory. Medical Subject Headings (MeSH). 2026. Unique ID D000077318. http://id.nlm.nih.gov/mesh/2026/D000077318
  2. Density Functional Theory. In: Wikipedia. https://en.wikipedia.org/wiki/Density_functional_theory
  3. Density Functional Theory. In: Wikidata. https://www.wikidata.org/wiki/Q1048589