DeCS

Descriptor English:

Density Functional Theory

Descriptor Spanish:

Teoría Funcional de la Densidad

Spanish from Spain

Descriptor	teoría funcional de la densidad
Entry term(s)	KS-DFT Td-DFT cálculos de Td-DFT cálculos de la teoría del funcional de la densidad cálculos de la teoría del funcional de la densidad dependiente del tiempo cálculos del funcional de la densidad teoría del funcional de la densidad dependiente del tiempo teoría funcional de la densidad de Kohn Sham teoría funcional de la densidad de Kohn-Sham teorías funcionales de la densidad
Scope note:	Teoría que se utiliza para describir las propiedades del estado basal electrónico de la materia. Constituye la base de métodos para obtener una solución a la ecuación de Schrödinger para un sistema de muchos cuerpos y para investigar las propiedades estructurales, magnéticas y electrónicas de moléculas y materiales.

Descriptor Portuguese:

Teoria da Densidade Funcional

Descriptor French:

Théorie de la fonctionnelle de la densité

Entry term(s):

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

Tree number(s):

H01.671.579.800.500

RDF Unique Identifier:

https://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.

Allowable Qualifiers:

HI history

Previous Indexing:

Quantum Theory (2002-2018)

Public MeSH Note:

2019

History Note:

2019

DeCS ID:

57605

Unique ID:

D000077318

Documents indexed in the Virtual Health Library (VHL):

Click here to access the VHL documents

Date Established:

2019/01/01

Date of Entry:

2018/07/09

Revision Date:

2020/02/28

DISCIPLINES AND OCCUPATIONS

Natural Science Disciplines [H01]

Natural Science Disciplines

Physics [H01.671]

Physics

Nuclear Physics [H01.671.579]

Nuclear Physics

Quantum Theory [H01.671.579.800]

Quantum Theory

Density Functional Theory [H01.671.579.800.500]

Density Functional Theory

Density Functional Theory - Preferred

Concept UI	M000640525
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.
Preferred term	Density Functional Theory
Entry term(s)	Density Functional Theories KS-DFT Kohn Sham Density Functional Theory Kohn-Sham Density Functional Theory

DFT Calculations - Broader

Concept UI	M000640526
Preferred term	DFT Calculations
Entry term(s)	Calculation, Density Functional Computation, Density Functional DFT Calculation Density Functional Calculation Density Functional Calculations Density Functional Computation Density Functional Computations Density Functional Theory Calculations Density Functional Theory Computations Functional Calculation, Density Functional Calculations, Density Functional Computation, Density

Time-Dependent Density Functional Theory - Narrower

Concept UI	M000679043
Preferred term	Time-Dependent Density Functional Theory
Entry term(s)	Td-DFT Time Dependent Density Functional Theory

Time-Dependent Density Functional Theory Computations - Narrower

Concept UI	M000679044
Preferred term	Time-Dependent Density Functional Theory Computations
Entry term(s)	Calculation, Td-DFT Computation, Td-DFT Td DFT Calculations Td DFT Computations Td-DFT Calculation Td-DFT Calculations Td-DFT Computation Td-DFT Computations Time Dependent Density Functional Theory Calculations Time Dependent Density Functional Theory Computations Time-Dependent Density Functional Theory Calculations

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