Hybrid functional
Hybrid functionals are a class of approximations to the exchange–correlation energy functional in density functional theory (DFT) that incorporate a portion of exact exchange from Hartree–Fock theory with the rest of the exchange–correlation energy from other sources (ab initio or empirical). The exact exchange energy functional is expressed in terms of the Kohn–Sham orbitals rather than the density, so is termed an implicit density functional. One of the most commonly used versions is B3LYP, which stands for "Becke, 3-parameter, Lee–Yang–Parr".
Wikipage disambiguates
Wikipage redirect
Ab initio quantum chemistry methodsB3LYPComputational chemistryDensity functional theoryElectric dipole momentElectronic band structureFHI-aimsFreeONGaussian (software)Gertrude BlanchHSEHartree–Fock methodHeyd-Scuseria-Ernzerhof functionalHomogentisate 1,2-dioxygenaseIndex of physics articles (H)Jaguar (software)John PerdewList of quantum chemistry and solid-state physics softwareLocal-density approximationQuantum chemistry composite methodsSIESTA (computer program)Spartan (chemistry software)The Journal of Chemical PhysicsVienna Ab initio Simulation Package
Link from a Wikipage to another Wikipage
primaryTopic
Hybrid functional
Hybrid functionals are a class of approximations to the exchange–correlation energy functional in density functional theory (DFT) that incorporate a portion of exact exchange from Hartree–Fock theory with the rest of the exchange–correlation energy from other sources (ab initio or empirical). The exact exchange energy functional is expressed in terms of the Kohn–Sham orbitals rather than the density, so is termed an implicit density functional. One of the most commonly used versions is B3LYP, which stands for "Becke, 3-parameter, Lee–Yang–Parr".
has abstract
Hybrid functionals are a class ...... , 3-parameter, Lee–Yang–Parr".
@en
Une fonctionnelle hybride est ...... la communauté des chimistes ».
@fr
Гібридні функціонали — клас фу ...... раметри), прізвищ Лі-Янг-Парр.
@uk
混成汎関数(こんせいはんかんすう、英: Hybrid fun ...... rameter、Lee–Yang–Parrの頭文字)がある。
@ja
Wikipage page ID
10,325,676
page length (characters) of wiki page
Wikipage revision ID
1,025,844,508
Link from a Wikipage to another Wikipage
wikiPageUsesTemplate
subject
hypernym
comment
Hybrid functionals are a class ...... , 3-parameter, Lee–Yang–Parr".
@en
Une fonctionnelle hybride est ...... la communauté des chimistes ».
@fr
Гібридні функціонали — клас фу ...... раметри), прізвищ Лі-Янг-Парр.
@uk
混成汎関数(こんせいはんかんすう、英: Hybrid fun ...... rameter、Lee–Yang–Parrの頭文字)がある。
@ja
label
Fonctionnelle hybride
@fr
Hybrid functional
@en
Гібридний функціонал
@uk
混成汎関数
@ja