title: Vibrating H3(+) in a uniform magnetic field.
abstract: Potential energy surfaces are obtained for singlet H3(+) in magnetic fields of up to 2350 T. The magnetic interaction was treated by first-order perturbation theory and the interaction terms computed ab initio. They were then fitted to a functional form and added to a recent, highly accurate adiabatic potential energy surface. In its most stable orientation, the molecule is arranged such that the magnetic field vector is in the molecular plane. The most stable configuration is no longer D3h as in the field-free case, but C2v, though the stabilization energy is extremely small, of the order of 0.01 cm(–1) for a 2350 T field. Finally, we have calculated, for a range of magnetic field strengths and orientations, all the vibrational eigenvalues that are below the barrier to linearity in the field-free case.
authors: Groupe de Spectrométrie Moléculaire et Atmosphérique (UMR CNRS 7331), U.F.R. Sciences Exactes et Naturelles, University of Reims Champagne-Ardenne , Moulin de la Housse B.P. 1039, F-51687 Reims Cedex 2, France.
authors: Héctor
authors: H
authors: Medel Cobaxin
authors: Alexander
authors: A
authors: Alijah