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.

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All labels observed (4)

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 Heitler–London theory of the chemical bond self-linksurface differs
surface form: “Wechselwirkung neutraler Atome und homöopolare Bindung nach der Quantenmechanik”
relatedConcept Heitler–London theory of the chemical bond self-linksurface differs
surface form: Heitler–London wavefunction

exchange energy
usesConcept Pauli exclusion principle
antisymmetric total wavefunction
electron spin
exchange interaction
superposition of atomic wavefunctions
valence electrons
yearProposed 1927

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 Heitler–London theory of the chemical bond
this entity surface form: electron-pair theory of chemical bonding
Heitler–London theory of the chemical bond publication Heitler–London theory of the chemical bond self-linksurface differs
this entity surface form: “Wechselwirkung neutraler Atome und homöopolare Bindung nach der Quantenmechanik”
Heitler–London theory of the chemical bond relatedConcept Heitler–London theory of the chemical bond self-linksurface differs
this entity surface form: Heitler–London wavefunction