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Marcos Becerra, Víctor Posligua and Eduardo V. Ludeña Non-born–oppenheimer nuclear and electronic densities for a hooke-coulomb model for a four-particle system International Journal of Quantum Chemistry 113

Article first published online: 4 DEC 2012 | DOI: 10.1002/qua.24368

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The traditional Born–Oppenheimer approach impedes treating both electron and nuclear motion on the same footing. Non-Born–Oppenheimer (nBO) nuclear and electron one-particle densities are obtained for an exactly solvable Hook–Coulomb model of a four-particle system. From the examination of the topological features of these densities when the reference point defining the densities is changed, it is concluded that there does not exist a unique correspondence between the topology of nBO one-particle densities and molecular structure.

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