Vibrational predissociation of D2HF and H2HF with a new potential energy surface
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 dist...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
| Published: |
1998
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| _version_ | 1797071991571742720 |
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| author | Krause, P Clary, D |
| author_facet | Krause, P Clary, D |
| author_sort | Krause, P |
| collection | OXFORD |
| description | 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. |
| first_indexed | 2024-03-06T23:01:11Z |
| format | Journal article |
| id | oxford-uuid:622eff7a-910c-41b0-8573-029f7963b796 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T23:01:11Z |
| publishDate | 1998 |
| record_format | dspace |
| spelling | oxford-uuid:622eff7a-910c-41b0-8573-029f7963b7962022-03-26T18:04:33ZVibrational predissociation of D2HF and H2HF with a new potential energy surfaceJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:622eff7a-910c-41b0-8573-029f7963b796EnglishSymplectic Elements at Oxford1998Krause, PClary, DThe 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. |
| spellingShingle | Krause, P Clary, D Vibrational predissociation of D2HF and H2HF with a new potential energy surface |
| title | Vibrational predissociation of D2HF and H2HF with a new potential energy surface |
| title_full | Vibrational predissociation of D2HF and H2HF with a new potential energy surface |
| title_fullStr | Vibrational predissociation of D2HF and H2HF with a new potential energy surface |
| title_full_unstemmed | Vibrational predissociation of D2HF and H2HF with a new potential energy surface |
| title_short | Vibrational predissociation of D2HF and H2HF with a new potential energy surface |
| title_sort | vibrational predissociation of d2hf and h2hf with a new potential energy surface |
| work_keys_str_mv | AT krausep vibrationalpredissociationofd2hfandh2hfwithanewpotentialenergysurface AT claryd vibrationalpredissociationofd2hfandh2hfwithanewpotentialenergysurface |