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Updated: Nov 21, 2025

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
Orientational decoherence within molecules and emergence of the molecular shape
Edit Mátyus1, Patrick Cassam-Chenaï2
1Institute of Chemistry, Eötvös Loránd University, Pázmány Péter sétány 1/A, 1117 Budapest, Hungary.
Abstract:
The question of classicality is addressed in relation with the shape of the nuclear skeleton of molecular systems. As the most natural environment, the electrons of the molecule are considered as continuously monitoring agents for the nuclei. For this picture, an elementary formalism of decoherence theory is developed and numerical results are presented for few-particle systems. The numerical examples suggest that the electron-nucleus Coulomb interaction is sufficient for inducing a blurred shape with strong quantum coherences in compounds of the lightest elements, H2, D2, T2, and HeH+.
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