Inversion of absorption spectral data for relaxation matrix determination. II. Application to Q-branch line mixing in HCN, C2H2, and N2O

Robert Boyd, Tak San Ho, Herschel Rabitz

Research output: Contribution to journalArticle

4 Scopus citations

Abstract

Experimental absorption spectral data from Q-branch line mixing in HCN, C2H2, and N2O are inverted to extract their respective relaxation W matrices. The formulation makes use of a general iterative inversion algorithm based upon first-order sensitivity analysis and Tikhonov regularization. The algorithm, previously applied to R-branch line mixing in HCN, is reformulated to explicitly require detailed balance for the real, off-diagonal W matrix elements. As with the HCN R-branch case, the W matrices recovered typically were found to describe line mixing much better than those derived from the fitting laws currently in use, and the inversion algorithm usually converged within just three iterations.

Original languageEnglish (US)
Pages (from-to)1780-1793
Number of pages14
JournalJournal of Chemical Physics
Volume108
Issue number5
DOIs
StatePublished - Feb 1 1998

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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