Abstract
It is shown how the classical concept of molecular structure finds a natural setting in quantum theory in terms of superselection rules, and how the latter can be understood in a variety of cases as result of the universal coupling of molecules to the radiation field. Particularly favorable conditions for this mechanism to be operative arise in large assemblies of closely packed identical molecules (cooperative effect). Specific examples include the symmetry breaking in chiral molecules and the localization of the electron in H +2 for widely separated nuclei. Finally, an experiment is proposed to check some of the predictions of this theory.
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Pfeifer, P. (1983). Molecular Structure Derived from First-Principles Quantum Mechanics: Two Examples. In: Hinze, J. (eds) Energy Storage and Redistribution in Molecules. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-3667-9_18
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DOI: https://doi.org/10.1007/978-1-4613-3667-9_18
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