QUANTUM CALCULATIONS ON THE COLLISIONS OF NON-LINEAR TRIATOMIC-MOLECULES WITH ATOMS - VIBRATIONAL-EXCITATION IN HE+SO2(V1V2V3)
The combined vibrational close-coupling, rotational infinite-order sudden quantum technique is extended to the calculation of vibrational excitation cross sections for the three-dimensional collisions of atoms with nonlinear triatomic molecules. The method has been incorporated into a general comput...
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| Format: | Journal article |
| Language: | English |
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1981
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| _version_ | 1826264603895529472 |
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| author | Clary, D |
| author_facet | Clary, D |
| author_sort | Clary, D |
| collection | OXFORD |
| description | The combined vibrational close-coupling, rotational infinite-order sudden quantum technique is extended to the calculation of vibrational excitation cross sections for the three-dimensional collisions of atoms with nonlinear triatomic molecules. The method has been incorporated into a general computer program which should be applicable to many atom-nonlinear triatomic systems having realistic potential energy surfaces. Calculations on the He + SO 2(v1v2v3) system are reported for four different potential energy surfaces. Various vibrational transition propensities are observed. The results are used to examine the validity of assumptions made by Siebert and Flynn on the dominant collision-induced energy transfer pathways contributing to the fluorescence rate of the v3 mode of SO2. © 1981 American Institute of Physics. |
| first_indexed | 2024-03-06T20:10:30Z |
| format | Journal article |
| id | oxford-uuid:2a650e28-f60f-44f9-9981-80a32321d6de |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T20:10:30Z |
| publishDate | 1981 |
| record_format | dspace |
| spelling | oxford-uuid:2a650e28-f60f-44f9-9981-80a32321d6de2022-03-26T12:24:45ZQUANTUM CALCULATIONS ON THE COLLISIONS OF NON-LINEAR TRIATOMIC-MOLECULES WITH ATOMS - VIBRATIONAL-EXCITATION IN HE+SO2(V1V2V3)Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:2a650e28-f60f-44f9-9981-80a32321d6deEnglishSymplectic Elements at Oxford1981Clary, DThe combined vibrational close-coupling, rotational infinite-order sudden quantum technique is extended to the calculation of vibrational excitation cross sections for the three-dimensional collisions of atoms with nonlinear triatomic molecules. The method has been incorporated into a general computer program which should be applicable to many atom-nonlinear triatomic systems having realistic potential energy surfaces. Calculations on the He + SO 2(v1v2v3) system are reported for four different potential energy surfaces. Various vibrational transition propensities are observed. The results are used to examine the validity of assumptions made by Siebert and Flynn on the dominant collision-induced energy transfer pathways contributing to the fluorescence rate of the v3 mode of SO2. © 1981 American Institute of Physics. |
| spellingShingle | Clary, D QUANTUM CALCULATIONS ON THE COLLISIONS OF NON-LINEAR TRIATOMIC-MOLECULES WITH ATOMS - VIBRATIONAL-EXCITATION IN HE+SO2(V1V2V3) |
| title | QUANTUM CALCULATIONS ON THE COLLISIONS OF NON-LINEAR TRIATOMIC-MOLECULES WITH ATOMS - VIBRATIONAL-EXCITATION IN HE+SO2(V1V2V3) |
| title_full | QUANTUM CALCULATIONS ON THE COLLISIONS OF NON-LINEAR TRIATOMIC-MOLECULES WITH ATOMS - VIBRATIONAL-EXCITATION IN HE+SO2(V1V2V3) |
| title_fullStr | QUANTUM CALCULATIONS ON THE COLLISIONS OF NON-LINEAR TRIATOMIC-MOLECULES WITH ATOMS - VIBRATIONAL-EXCITATION IN HE+SO2(V1V2V3) |
| title_full_unstemmed | QUANTUM CALCULATIONS ON THE COLLISIONS OF NON-LINEAR TRIATOMIC-MOLECULES WITH ATOMS - VIBRATIONAL-EXCITATION IN HE+SO2(V1V2V3) |
| title_short | QUANTUM CALCULATIONS ON THE COLLISIONS OF NON-LINEAR TRIATOMIC-MOLECULES WITH ATOMS - VIBRATIONAL-EXCITATION IN HE+SO2(V1V2V3) |
| title_sort | quantum calculations on the collisions of non linear triatomic molecules with atoms vibrational excitation in he so2 v1v2v3 |
| work_keys_str_mv | AT claryd quantumcalculationsonthecollisionsofnonlineartriatomicmoleculeswithatomsvibrationalexcitationinheso2v1v2v3 |