Vibrational band intensities are obtained from discrete variable representation calculations of eigenstates for Hf. Transitions linking highly excited states to the ground state show large variations in intensities, with gateway states corresponding to highly excited bending motion ("horseshoes") wh
All the vibrational bound states of H+3
โ Scribed by James R. Henderson; Jonathan Tennyson
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 523 KB
- Volume
- 173
- Category
- Article
- ISSN
- 0009-2614
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โฆ Synopsis
Vibrational calculations are presented for three H$ potential energy surfaces using a discrete variable representation in all three internal coordinates. These calculations converge ali the J= 0 bound states of Hz to within ID cm-' giving at least 88 1 states for each potential. The wavefunctions of these states have been analysed in an attempt to find assignable or spatially localised states of the system. The significance of this work to the unassigned near-dissociation spectra of H$ is discussed.
๐ SIMILAR VOLUMES
Bending frequencies were determined for n=3 states of H,: v,(3s\*A', ) =2587.9 cm-', v2(3d)=2517.8 cm-'. A simple model describing the 3d states of H1 with excitation of the bending mode has been developed.