Heitler–London theory of the chemical bond

E347196

The Heitler–London theory of the chemical bond is an early quantum mechanical model that explains covalent bonding by treating it as the result of electron exchange and spin pairing between atoms.

All labels observed (4)

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Statements (48)

Predicate Object
instanceOf chemical bonding theory ⓘ
quantum mechanical theory ⓘ
valence bond theory ⓘ
appliesMethod linear combination of atomic orbitals ⓘ
symmetrization and antisymmetrization of product states ⓘ
appliesTo covalent bond ⓘ
approachType ab initio method ⓘ
wavefunction‑based method ⓘ
assumes localized electrons on atoms ⓘ
basedOn Schrödinger equation ⓘ
quantum mechanics ⓘ
characteristicFeature explicit treatment of electron exchange ⓘ
non‑perturbative treatment of H₂ molecule ⓘ
use of spin‑correlated wavefunctions ⓘ
comparedTo molecular orbital theory ⓘ
coreIdea antibonding arises from antisymmetric spatial wavefunction and symmetric spin state ⓘ
bonding arises from symmetric spatial wavefunction and antisymmetric spin state ⓘ
describes electron exchange between atoms ⓘ
spin pairing of electrons ⓘ
developedBy Fritz London ⓘ
Walter Heitler ⓘ
explains bond formation via spin‑paired electron pairs ⓘ
covalent bonding as electron exchange ⓘ
field chemical physics ⓘ
quantum chemistry ⓘ
theoretical chemistry ⓘ
firstAppliedTo H₂ ground state ⓘ
hydrogen molecule ⓘ
historicalPeriod early quantum mechanics ⓘ
influenced development of quantum chemistry ⓘ
isFoundationFor modern valence bond theory ⓘ
languageOfOriginalPublication German ⓘ
limitation computationally difficult for many‑electron systems ⓘ
less convenient than molecular orbital theory for delocalized systems ⓘ
namedAfter Fritz London ⓘ
Walter Heitler ⓘ
predicts destabilization of triplet spin state in H₂ ⓘ
stabilization of singlet spin state in H₂ ⓘ
publication “Wechselwirkung neutraler Atome und homöopolare Bindung nach der Quantenmechanik” ⓘ
relatedConcept Heitler–London wavefunction ⓘ
exchange energy ⓘ
usesConcept Pauli exclusion principle ⓘ
antisymmetric total wavefunction ⓘ
electron spin ⓘ
exchange interaction ⓘ
superposition of atomic wavefunctions ⓘ
valence electrons ⓘ
yearProposed 1927 ⓘ

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Referenced by (5)

Full triples — surface form annotated when it differs from this entity's canonical label.

Fritz London → notableWork → Heitler–London theory of the chemical bond ⓘ
Walter Heitler → notableWork → Heitler–London theory of the chemical bond ⓘ
Gilbert N. Lewis → notableWork → electron-pair theory of chemical bonding ⓘ
linked to: Heitler–London theory of the chemical bond
Heitler–London theory of the chemical bond → publication → “Wechselwirkung neutraler Atome und homöopolare Bindung nach der Quantenmechanik” ⓘ
linked to: Heitler–London theory of the chemical bond
Heitler–London theory of the chemical bond → relatedConcept → Heitler–London wavefunction ⓘ
linked to: Heitler–London theory of the chemical bond