Vibrational predissociation of D2HF and H2HF with a new potential energy surface
- 1 March 1998
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 93 (4) , 619-625
- https://doi.org/10.1080/002689798168952
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.Keywords
This publication has 23 references indexed in Scilit:
- The vibrational predissociation of HeBr2: a wavepacket studyChemical Physics Letters, 1997
- State-to-state vibrational predissociation of H2–HF and D2–HF. Direct comparisons between theory and experimentThe Journal of Chemical Physics, 1993
- A time-dependent calculation for vibrational predissociation of H2HFThe Journal of Chemical Physics, 1992
- A time-dependent golden rule wave packet calculation for vibrational predissociation of D2HFThe Journal of Chemical Physics, 1992
- Mode-specific decay widths in vibrational predissociation of D2HFChemical Physics Letters, 1992
- Vibrational predissociation in D2HFThe Journal of Chemical Physics, 1992
- Calculation of van der Waals spectra for H2HF, D2HF, and H2DFThe Journal of Chemical Physics, 1990
- Wave packet dynamics of van der Waals molecules: Fragmentation of NeCl2 with three degrees of freedomThe Journal of Chemical Physics, 1989
- The infrared spectrum of D2HFThe Journal of Chemical Physics, 1988
- Hindered internal rotation in jet cooled H2HF complexesThe Journal of Chemical Physics, 1987