Quantum theory and molecular structure

1976/01/01 by R.G. Woolley, R. Guy Woolley · 279 citations
Chemistry · Mathematics · Physics and Astronomy · #Advanced Chemical Physics Studies #Eigenvalues and eigenvectors #History and advancements in chemistry #Mathematics #Molecular spectroscopy #Molecule #Photochemistry and Electron Transfer Studies #Physics #Quantum #Quantum mechanics #Symmetry (geometry) #Theoretical physics #Theory of relativity

paper · doi:10.1080/00018737600101352

published in Advances In Physics 25(1), 27-52 (Taylor & Francis)

openalex publication_date 1976/01/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/29

Abstract

An attempt is made to refine the classical concept of molecular structure in the light of quantum theory. It is argued that a definite molecular structure can only be associated with quantum states that are intrinsically time-dependent and therefore need not manifest the full symmetry implied by the relativity principle; conversely if a molecule is definitely observed in an eigenstate of its associated molecular Schrödinger equation, a molecular structure description is inappropriate. The theme of the article is illustrated with examples drawn from spectroscopy, dielectric phenomena, electron scattering, stereoisomerism and optical activity.

Cited by

• Enantiodetection in a cavity QED setup with finite chiral molecules
• Chemical graphs
• Spatiotemporal Order and Parametric Instabilities from First-Principles
• Quantifying imaginarity of quantum operations
• Pre-Born–Oppenheimer molecular structure theory
• Orientational decoherence within molecules and emergence of the molecular shape
• The role of idealisations in describing an isolated molecule. [europepmc]
• Quantum Definition of Molecular Structure. [europepmc]

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