Asymmetrically confined harmonic

An alternative and very accurate way to solve the problem was given by Aquino [34,35], which is based on a procedure developed by Campoy and Palma [189,190] for free (unbounded) systems. This method has been successfully applied in the following contexts The spherically confined harmonic oscillator [13], computation of the Einstein coefficients of the ID asymmetrically confined harmonic oscillator [169], confined 2D hydrogen atom [185], and also in the study of free (unbounded) systems as the inversion frequencies of NH3, in which the inversion potential is modeled by a 20th-degree polynomial [191], and in the Mitra potential [192]. 

The anharmonic modes for both the a symmetric and 67 asymmetric CH stretching vibrations have been explored. In order to perform a reasonable anharmonic treatment, we had to take into account the stretching of the bonds to larger elongations than for the harmonic description where displacements can be confined close to the equilibrium geometry. Consequently, correlation effects were included in the determination of the potential surface. The electronic calculations were carried out at the MP2 level, which insures a good description of the CH bond potential towards dissociation. A double zeta... 

The topics of this chapter, listed in the Contents and outlined in the Introduction, discuss the rotations of asymmetric molecules and the hydrogen atom in their natural free configurations as reviewed in Section 2 changes in the properties of the same systems in configurations of confinement by elliptical cones are reported, including new results for asymmetric molecules, in Section 3 and some advances in developing the theory of angular momentum in spheroconal harmonic bases, as well as some possible routes under exploration are presented in Section 4. 

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