Isotopic branching in (He, HD+) collisions: A time-dependent quantum mechanical study in three dimensions
A time-dependent quantum mechanical approach has been used to investigate the reaction He+HD+(v = 0 - 4,j = 0 - 3)→HeH++D; HeD+ + H in three dimensions for total angular momentum J = 0. The vib-rotation (v,j) state-selected reaction probability (PRv,j) is shown to increase with v over the collision...
| Автори: | , , |
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| Формат: | Journal article |
| Мова: | English |
| Опубліковано: |
1999
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| _version_ | 1826303617631518720 |
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| author | Kalyanaraman, C Clary, D Sathyamurthy, N |
| author_facet | Kalyanaraman, C Clary, D Sathyamurthy, N |
| author_sort | Kalyanaraman, C |
| collection | OXFORD |
| description | A time-dependent quantum mechanical approach has been used to investigate the reaction He+HD+(v = 0 - 4,j = 0 - 3)→HeH++D; HeD+ + H in three dimensions for total angular momentum J = 0. The vib-rotation (v,j) state-selected reaction probability (PRv,j) is shown to increase with v over the collision energy (Etrans) range (0.95-2.25 eV) investigated for both the exchange channels, in accord with the experimental results. The isotopic branching ratio F = PR(HeH+)/PR(HeD+) generally remains less than unity for different v states at different Etrans in agreement with experiment. But at Etrans= 1.0 eV, for v = 4, F obtained from our calculations for j = 0 of HD+ is ∼0.8, in excellent agreement with the earlier quasiclassical trajectory calculations, but a factor of 2 less than that obtained from experiment. This difference could arise from the inclusion of nonzero j states in the experimental study, as PRv,j is found to be j dependent for both the channels. While PRv,j (HeH+) decreases initially with increase in j from 0 to 2 and then increases when j is increased further to 3, PRv,j (HeD+) reveals an unusual j dependence; it is larger for even j states of HD+ than for odd j. As a result, F is strongly dependent on j, in contrast to the marginal dependence shown by the earlier quasiclassical trajectory calculations. © 1999 American Institute of Physics. |
| first_indexed | 2024-03-07T06:05:26Z |
| format | Journal article |
| id | oxford-uuid:edadbff0-0f08-4db7-81ce-5f95c91c967a |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T06:05:26Z |
| publishDate | 1999 |
| record_format | dspace |
| spelling | oxford-uuid:edadbff0-0f08-4db7-81ce-5f95c91c967a2022-03-27T11:26:58ZIsotopic branching in (He, HD+) collisions: A time-dependent quantum mechanical study in three dimensionsJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:edadbff0-0f08-4db7-81ce-5f95c91c967aEnglishSymplectic Elements at Oxford1999Kalyanaraman, CClary, DSathyamurthy, NA time-dependent quantum mechanical approach has been used to investigate the reaction He+HD+(v = 0 - 4,j = 0 - 3)→HeH++D; HeD+ + H in three dimensions for total angular momentum J = 0. The vib-rotation (v,j) state-selected reaction probability (PRv,j) is shown to increase with v over the collision energy (Etrans) range (0.95-2.25 eV) investigated for both the exchange channels, in accord with the experimental results. The isotopic branching ratio F = PR(HeH+)/PR(HeD+) generally remains less than unity for different v states at different Etrans in agreement with experiment. But at Etrans= 1.0 eV, for v = 4, F obtained from our calculations for j = 0 of HD+ is ∼0.8, in excellent agreement with the earlier quasiclassical trajectory calculations, but a factor of 2 less than that obtained from experiment. This difference could arise from the inclusion of nonzero j states in the experimental study, as PRv,j is found to be j dependent for both the channels. While PRv,j (HeH+) decreases initially with increase in j from 0 to 2 and then increases when j is increased further to 3, PRv,j (HeD+) reveals an unusual j dependence; it is larger for even j states of HD+ than for odd j. As a result, F is strongly dependent on j, in contrast to the marginal dependence shown by the earlier quasiclassical trajectory calculations. © 1999 American Institute of Physics. |
| spellingShingle | Kalyanaraman, C Clary, D Sathyamurthy, N Isotopic branching in (He, HD+) collisions: A time-dependent quantum mechanical study in three dimensions |
| title | Isotopic branching in (He, HD+) collisions: A time-dependent quantum mechanical study in three dimensions |
| title_full | Isotopic branching in (He, HD+) collisions: A time-dependent quantum mechanical study in three dimensions |
| title_fullStr | Isotopic branching in (He, HD+) collisions: A time-dependent quantum mechanical study in three dimensions |
| title_full_unstemmed | Isotopic branching in (He, HD+) collisions: A time-dependent quantum mechanical study in three dimensions |
| title_short | Isotopic branching in (He, HD+) collisions: A time-dependent quantum mechanical study in three dimensions |
| title_sort | isotopic branching in he hd collisions a time dependent quantum mechanical study in three dimensions |
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