MeSH Browser

MeSH Heading: Density Functional Theory
Tree Number(s): H01.671.579.800.500
Unique ID: D000077318
RDF Unique Identifier: http://id.nlm.nih.gov/mesh/D000077318
Scope Note: 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.
Entry Term(s): DFT Calculations; Density Functional Calculations; Density Functional Computations; Density Functional Theory Calculations; Density Functional Theory Computations; KS-DFT; Kohn-Sham Density Functional Theory; 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
Previous Indexing: Quantum Theory (2002-2018)
Public MeSH Note: 2019
History Note: 2019
Date Established: 2019/01/01
Date of Entry: 2018/07/09
Revision Date: 2020/02/28

Density Functional Theory MeSH Descriptor Data 2023