Avoiding the limitations of the Born–Oppenheimer approximation remains an issue of continuing importance in molecular physics. If we take the H2 molecule as a prototype, then one uses, in some sense, the ratio of electron mass m to nuclear mass M as an expansion parameter, sometimes cited to be explicitly (m/M)1/4. Here, we employ a model of such a two-electron diatomic molecule set up by Makarewicz [Am. J. Phys. 54 (1986) 178] to study the exact ground-state wave function obtained by treating electrons and nuclei on the same footing, Of course, to obtain such a wave function analytically means adopting model force laws, both for confinement and for the interelectronic interaction. From the exact wave function and ground-state energy, contact is finally established with the large nuclear mass limit.
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Howard, I.A., Amovilli, C., Gidopoulos, N. et al. Exactly Solvable Model Mimicking the H2 Molecule in the Limit of Large Nuclear Masses. J Math Chem 42, 603–615 (2007). https://doi.org/10.1007/s10910-006-9136-3
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DOI: https://doi.org/10.1007/s10910-006-9136-3