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Vibrational predissociation of D2HF and H2HF with a new potential energy surface

Abstract:
The vibrational predissociation of D2HF and H2HF is calculated using a time-dependent method. The calculations use an improved potential energy surface obtained from a fit of new ab initio points to a spherical harmonic expansion. The vibrational predissociation lifetimes and rotational product distributions for D2HF agree well with experiment. For H2HF the vibrational predissociation lifetimes are longer than expected from experiment.
Publication status:
Published

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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Journal:
MOLECULAR PHYSICS
Volume:
93
Issue:
4
Pages:
619-625
Publication date:
1998-03-01
ISSN:
0026-8976
Language:
English
Pubs id:
pubs:52797
UUID:
uuid:622eff7a-910c-41b0-8573-029f7963b796
Local pid:
pubs:52797
Source identifiers:
52797
Deposit date:
2013-11-16

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