Inversion of absorption spectral data for relaxation matrix determination. I. Application to line mixing in the 106←000 overtone transition of HCN

Robert Boyd, Tak San Ho, Herschel Rabitz, Daniele Romanini, Kevin Lehmann

Research output: Contribution to journalArticle

2 Scopus citations

Abstract

A new method of extracting the relaxation matrix directly from absorption spectral data is formulated and applied to R-branch line mixing in HCN. The formulation makes use of a general iterative inversion algorithm based upon first-order sensitivity analysis and Tikhonov regularization. The recovered relaxation matrices describe line mixing much better than those derived from the fitting laws currently in use, and the inversion algorithm usually converges within just three iterations. This formulation presents the first known method for extracting the imaginary, off-diagonal elements of the relaxation matrix.

Original languageEnglish (US)
Pages (from-to)392-401
Number of pages10
JournalJournal of Chemical Physics
Volume108
Issue number2
DOIs
StatePublished - Jan 8 1998

All Science Journal Classification (ASJC) codes

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

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