Multichannel quantum defect theory simulations of the Rydberg spectra of HCO
Multi-channel quantum defect theory (MQDT) is used to simulate the photoionization spectrum of HCO involving autoionizing Rydberg states converging on the v+2 = 1, 2 and 3 thresholds. The simulations are compared with experimentally recorded spectra of resonances converging to the (0310) state of HC...
| Váldodahkkit: | , |
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| Materiálatiipa: | Journal article |
| Giella: | English |
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2005
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| _version_ | 1826289611707514880 |
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| author | Brownbill, S Softley, T |
| author_facet | Brownbill, S Softley, T |
| author_sort | Brownbill, S |
| collection | OXFORD |
| description | Multi-channel quantum defect theory (MQDT) is used to simulate the photoionization spectrum of HCO involving autoionizing Rydberg states converging on the v+2 = 1, 2 and 3 thresholds. The simulations are compared with experimentally recorded spectra of resonances converging to the (0310) state of HCO+ observed from the photoselected 3pπ 2Π (030) K' = 0, N' = 0 intermediate state, and with spectra converging to the lower thresholds obtained by Mayer and co-workers. Matrix elements off-diagonal in l and v+2 are included to account for all channel interactions and autoionization. A reasonable agreement between experiment and theory is obtained by optimization of both the diagonal and off-diagonal elements of the quantum defect matrix, which are found to vary with the vibrational quantum number. © 2005 Taylor and Francis Group Ltd. |
| first_indexed | 2024-03-07T02:31:32Z |
| format | Journal article |
| id | oxford-uuid:a7647ec9-c9e6-42f2-99f0-2f2f52a499c0 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T02:31:32Z |
| publishDate | 2005 |
| record_format | dspace |
| spelling | oxford-uuid:a7647ec9-c9e6-42f2-99f0-2f2f52a499c02022-03-27T02:54:22ZMultichannel quantum defect theory simulations of the Rydberg spectra of HCOJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:a7647ec9-c9e6-42f2-99f0-2f2f52a499c0EnglishSymplectic Elements at Oxford2005Brownbill, SSoftley, TMulti-channel quantum defect theory (MQDT) is used to simulate the photoionization spectrum of HCO involving autoionizing Rydberg states converging on the v+2 = 1, 2 and 3 thresholds. The simulations are compared with experimentally recorded spectra of resonances converging to the (0310) state of HCO+ observed from the photoselected 3pπ 2Π (030) K' = 0, N' = 0 intermediate state, and with spectra converging to the lower thresholds obtained by Mayer and co-workers. Matrix elements off-diagonal in l and v+2 are included to account for all channel interactions and autoionization. A reasonable agreement between experiment and theory is obtained by optimization of both the diagonal and off-diagonal elements of the quantum defect matrix, which are found to vary with the vibrational quantum number. © 2005 Taylor and Francis Group Ltd. |
| spellingShingle | Brownbill, S Softley, T Multichannel quantum defect theory simulations of the Rydberg spectra of HCO |
| title | Multichannel quantum defect theory simulations of the Rydberg spectra of HCO |
| title_full | Multichannel quantum defect theory simulations of the Rydberg spectra of HCO |
| title_fullStr | Multichannel quantum defect theory simulations of the Rydberg spectra of HCO |
| title_full_unstemmed | Multichannel quantum defect theory simulations of the Rydberg spectra of HCO |
| title_short | Multichannel quantum defect theory simulations of the Rydberg spectra of HCO |
| title_sort | multichannel quantum defect theory simulations of the rydberg spectra of hco |
| work_keys_str_mv | AT brownbills multichannelquantumdefecttheorysimulationsoftherydbergspectraofhco AT softleyt multichannelquantumdefecttheorysimulationsoftherydbergspectraofhco |