INVERSION OF ABSORPTION SPECTRAL DATA FOR RELAXATION MATRIX DETERMINATION - I - APPLICATION TO LINE MIXING IN THE 106[-000-OVERTONE TRANSITION OF HCN

Citation
R. Boyd et al., INVERSION OF ABSORPTION SPECTRAL DATA FOR RELAXATION MATRIX DETERMINATION - I - APPLICATION TO LINE MIXING IN THE 106[-000-OVERTONE TRANSITION OF HCN, The Journal of chemical physics, 108(2), 1998, pp. 392-401
Citations number
31
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
108
Issue
2
Year of publication
1998
Pages
392 - 401
Database
ISI
SICI code
0021-9606(1998)108:2<392:IOASDF>2.0.ZU;2-G
Abstract
A new method of extracting the relaxation matrix directly from absorpt ion spectral data is formulated and applied to R-branch line mixing in HCN. The formulation makes use of a general iterative inversion algor ithm based upon first-order sensitivity analysis and Tikhonov regulari zation. The recovered relaxation matrices describe line mixing much be tter than those derived from the fitting laws currently in use, and th e inversion algorithm usually converges within just three iterations. This formulation presents the first known method for extracting the im aginary, off-diagonal elements of the relaxation matrix. (C) 1998 Amer ican Institute of Physics.