BOUND ROVIBRATIONAL STATES OF $HeN_{2}^{+}$
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Date
1988
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Publisher
Ohio State University
Abstract
The two-dimensional electronic ground state interaction potential of the $He\ldots N_{2}^{+}$ system has been calculated from highly correlated electronic wavefunctions. The potential has a minimum about $140 cm^{-1}$ below the dissociation limit and is deep enough to give rise to a cluster-like, bound structure with considerable number of rovibrational states. The well depth is almost independent of the $N_{2}^{+}\ldots$. He angle, which leads to large amplitude bending motions. Rovibrational calculations have been performed for $J=0$, 1 and 2. Values for the rotational constant B, the fundamental stretching frequency $\nu_{**}$, and its first and second overtone, the rotational constant $C_{o}$ in each nv, manifold, have been obtained from the energy levels computed. It is found that $B = 1.879 cm^{-1}, lv, = 55.231 cm^{-1}, 2v, = 83.404 cm^{-1}, 3v, = 92.491 cm^{-1}, C_{0} = 0.477cm^{-1}, C_{1} = 0.370 cm^{-1}$, and $C_{2} = 0.254 cm^{-1}$.
Description
Author Institution: Department of Physics, University College; Department of Chemistry, University of Frankfurt; University Chemical Laboratory, University of Cambridge; Department of Chemistry, University of Bielefeld