par Sutcliffe, Brian T. 
Référence Structure and Bonding, 143, page (101-120)
Publication Publié, 2012
Référence Structure and Bonding, 143, page (101-120)
Publication Publié, 2012
Article révisé par les pairs
| Résumé : | When considering the work of Carl Ballhausen on vibrational spectra, it is suggested that his use of the Born-Oppenheimer approximation is capable of some refinement and extension in the light of later developments. A consideration of the potential energy surface in the context of a full Coulomb Schrödinger Hamiltonian in which translational and rotational motions are explicitly considered would seem to require a reformulation of the Born-Oppenheimer approach. The resulting potential surface for vibrational motion should be treated, allowing for the rotational motion and the nuclear permutational symmetry of the molecule. © 2011 Springer-Verlag Berlin Heidelberg. |
