Non-born-oppenheimer nuclear and electronic densities for a hooke-coulomb model for a four-particle system

Marcos Becerra, Víctor Posligua, Eduardo V. Ludeña

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10 Citas (Scopus)

Resumen

Based on the exact solutions for a non-Born-Oppenheimer (nBO) Hooke-Coulomb model for a four-particle system (J. Chem. Phys. 2005, 123, 024102), we present here nBO nuclear and electron one-particle densities for this system. We examine the effect on the topology of the one-particle densities that arises from the selection of different reference points for the densities. In addition, we analyze the behavior of these densities as a function of the mass ratio between light and heavy particles. We conclude from these results that molecular structure is not univocally related to the topology of the one-particle densities in a nBO regime.

Idioma originalInglés
Páginas (desde-hasta)1584-1590
Número de páginas7
PublicaciónInternational Journal of Quantum Chemistry
Volumen113
N.º10
DOI
EstadoPublicada - 15 may. 2013

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