AB initio study of the HN2+ molecule ion and its dissociation products in ground and excited states |
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| Authors: | K. Vasudevan S.D. Peyerimhoff R.J. Buenker |
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| Affiliation: | Lehrstuhl für Theoretische Chemie, Universität Bonn, 53 Bonn, Germany |
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| Abstract: | Non-empirical SCF and Cl calculations for the HN2+ molecule ion are reported. Potential curves for ground and excited states of this system are obtained, with particular emphasis on the manner in which these species dissociate upon NH stretch. The electronic spectrum of HN2+ is also calculated and compared with that of an unperturbed N2 molecule. |
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