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
Gateway states and bath states in the vibrational spectrum of H+3
โ Scribed by C. Ruth Le Sueur; James R. Henderson; Jonathan Tennyson
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 687 KB
- Volume
- 206
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
โฆ Synopsis
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") which leak intensity into the nearby bath states. It is suggested that these gateway states may be observable. Implications of these results forthe interpretation ofthe infrared predissociation spectra of H:are discussed.
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