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...

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প্রধান লেখক: Brownbill, S, Softley, T
বিন্যাস: Journal article
ভাষা:English
প্রকাশিত: 2005
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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.
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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